 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104091/Gau-43092.inp" -scrdir="/scratch/9104091/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43093.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer09_B3LYP_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer09_B3LYP_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H                     1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           2           1
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018   1.0078250
 NucSpn=           2           1           1           1           2           2           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.0000000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.8800948           3.8223536           3.7673546
 Leave Link  202 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:              13.8 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer09_B3LYP_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.810016396928    
 DIIS: error= 2.73D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.810016396928     IErMin= 1 ErrMin= 2.73D-03
 ErrMax= 2.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-03 BMatP= 2.40D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.73D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.86D-02 MaxDP=2.74D+00              OVMax= 7.64D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.59D-02    CP:  1.35D+00
 E= -197.812143774153     Delta-E=       -0.002127377225 Rises=F Damp=F
 DIIS: error= 2.52D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.812143774153     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 2.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 2.40D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.52D-03
 Coeff-Com:  0.536D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.534D-03 0.999D+00
 Gap=     0.309 Goal=   None    Shift=    0.000
 RMSDP=6.02D-04 MaxDP=9.91D-02 DE=-2.13D-03 OVMax= 1.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.64D-04    CP:  1.36D+00  1.03D+00
 E= -197.812141354198     Delta-E=        0.000002419955 Rises=F Damp=F
 DIIS: error= 3.31D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -197.812143774153     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 3.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-05 BMatP= 1.55D-05
 IDIUse=3 WtCom= 3.55D-01 WtEn= 6.45D-01
 Coeff-Com: -0.773D-02 0.519D+00 0.489D+00
 Coeff-En:   0.000D+00 0.536D+00 0.464D+00
 Coeff:     -0.274D-02 0.530D+00 0.473D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=6.84D-05 MaxDP=7.48D-03 DE= 2.42D-06 OVMax= 8.89D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.67D-05    CP:  1.36D+00  1.04D+00  9.75D-01
 E= -197.812160235094     Delta-E=       -0.000018880896 Rises=F Damp=F
 DIIS: error= 4.87D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.812160235094     IErMin= 4 ErrMin= 4.87D-05
 ErrMax= 4.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-07 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.195D-02 0.626D-01 0.129D+00 0.810D+00
 Coeff:     -0.195D-02 0.626D-01 0.129D+00 0.810D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=1.41D-05 MaxDP=1.65D-03 DE=-1.89D-05 OVMax= 1.49D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.78D-06    CP:  1.36D+00  1.04D+00  9.83D-01  8.98D-01
 E= -197.812160411364     Delta-E=       -0.000000176270 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.812160411364     IErMin= 5 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.60D-08 BMatP= 2.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.683D-03 0.115D-02 0.443D-01 0.457D+00 0.499D+00
 Coeff:     -0.683D-03 0.115D-02 0.443D-01 0.457D+00 0.499D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=4.03D-06 MaxDP=3.86D-04 DE=-1.76D-07 OVMax= 5.68D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.24D-06    CP:  1.36D+00  1.04D+00  9.82D-01  8.85D-01  6.90D-01
 E= -197.812160481798     Delta-E=       -0.000000070434 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.812160481798     IErMin= 6 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-10 BMatP= 7.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.852D-04-0.110D-02 0.646D-02 0.676D-01 0.860D-01 0.841D+00
 Coeff:     -0.852D-04-0.110D-02 0.646D-02 0.676D-01 0.860D-01 0.841D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=3.52D-07 MaxDP=1.35D-05 DE=-7.04D-08 OVMax= 3.46D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  1.36D+00  1.04D+00  9.83D-01  8.85D-01  7.10D-01
                    CP:  9.52D-01
 E= -197.812160481976     Delta-E=       -0.000000000178 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.812160481976     IErMin= 7 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-12 BMatP= 1.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.422D-05-0.114D-03-0.261D-03-0.384D-02-0.426D-02 0.122D+00
 Coeff-Com:  0.886D+00
 Coeff:      0.422D-05-0.114D-03-0.261D-03-0.384D-02-0.426D-02 0.122D+00
 Coeff:      0.886D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=5.51D-08 MaxDP=4.35D-06 DE=-1.78D-10 OVMax= 3.95D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.56D-08    CP:  1.36D+00  1.04D+00  9.83D-01  8.85D-01  7.10D-01
                    CP:  9.64D-01  9.11D-01
 E= -197.812160481982     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 9.57D-09 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.812160481982     IErMin= 8 ErrMin= 9.57D-09
 ErrMax= 9.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.47D-15 BMatP= 4.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.492D-06-0.499D-05-0.588D-04-0.462D-03-0.570D-03 0.265D-02
 Coeff-Com:  0.323D-01 0.966D+00
 Coeff:      0.492D-06-0.499D-05-0.588D-04-0.462D-03-0.570D-03 0.265D-02
 Coeff:      0.323D-01 0.966D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=2.71D-09 MaxDP=1.74D-07 DE=-6.48D-12 OVMax= 2.87D-08

 SCF Done:  E(RB3LYP) =  -197.812160482     A.U. after    8 cycles
            NFock=  8  Conv=0.27D-08     -V/T= 2.0072
 KE= 1.963898533330D+02 PE=-8.537434256744D+02 EE= 2.609693318801D+02
 Leave Link  502 at Thu Jan 27 11:48:51 2022, MaxMem=  5368709120 cpu:             261.6 elap:              32.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.11219674D+03

 Leave Link  801 at Thu Jan 27 11:48:51 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 1.02D-01 8.71D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.70D-02 2.28D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.15D-03 8.86D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 1.19D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 1.07D-07 6.75D-05.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.09D-10 4.54D-06.
      8 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 9.95D-13 2.81D-07.
      3 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.82D-15 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension    88 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.679363D+02
      2  0.104646D-03  0.679356D+02
      3  0.340206D-03 -0.300050D-03  0.679361D+02
 Isotropic polarizability for W=    0.085645       67.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.360218D+00  0.156477D-01  0.128680D+01
      2   0.160921D+01 -0.100005D+01 -0.476175D+00
      3  -0.124899D+01  0.984405D+00 -0.810623D+00
      4   0.137449D-01  0.160915D+01  0.171860D+01
      5   0.128738D+01  0.171863D+01 -0.124743D+01
      6   0.171902D+01 -0.474928D+00  0.981361D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.363539D-03 -0.120374D-02 -0.143987D-02
      2  -0.119812D-02 -0.732326D-04 -0.512211D-03
      3   0.100893D-02  0.132248D-02  0.219750D-05
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.288508D-04  0.124669D-02  0.304377D-02
      2  -0.581027D-03 -0.423519D-03  0.156054D-02
      3  -0.190277D-02  0.591974D-04  0.394668D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.283048D-04  0.683671D-03  0.250360D-03
      2   0.683671D-03 -0.286550D-03  0.000000D+00
      3   0.250360D-03  0.000000D+00 -0.119719D-03
 OR G Eigenvalues:    -0.0009    -0.0001     0.0006  Iso=     0.0001
 Eigenvectors:
   (1)  -0.645466   0.734199   0.210537
   (2)  -0.071773  -0.332733   0.940286
   (3)   0.760410   0.591811   0.267463
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.54D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.11D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.69D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 9.20D-03 2.50D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 8.92D-04 5.34D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.89D-05 1.33D-03.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 3.74D-07 1.21D-04.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 6.33D-10 7.76D-06.
     12 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 1.30D-12 1.72D-07.
      1 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 3.34D-15 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   193 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.75D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.75D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.94D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.104646D-03  0.340206D-03
      2   0.104646D-03  0.679356D+02 -0.300050D-03
      3   0.340206D-03 -0.300050D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.363539D-03 -0.120374D-02 -0.143987D-02
      2  -0.119812D-02 -0.732326D-04 -0.512211D-03
      3   0.100893D-02  0.132248D-02  0.219750D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.360218D+00  0.156477D-01  0.128680D+01
      2   0.160921D+01 -0.100005D+01 -0.476175D+00
      3  -0.124899D+01  0.984405D+00 -0.810623D+00
      4   0.137449D-01  0.160915D+01  0.171860D+01
      5   0.128738D+01  0.171863D+01 -0.124743D+01
      6   0.171902D+01 -0.474928D+00  0.981361D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125008D+01  0.684931D-01  0.455676D+01  0.705563D-01  0.568673D+01
      2   0.684931D-01  0.567638D+01  0.608743D+01  0.568673D+01 -0.353440D+01
      3   0.455676D+01  0.608743D+01 -0.442003D+01  0.608551D+01 -0.169783D+01
                 6             7             8             9            10 
      1   0.608551D+01  0.455099D+01  0.608771D+01 -0.442020D+01 -0.758363D+00
      2  -0.169783D+01  0.608771D+01 -0.170291D+01  0.346611D+01 -0.495014D-01
      3   0.346946D+01 -0.442020D+01  0.346611D+01 -0.284432D+01 -0.297712D+01
                11            12            13            14            15 
      1  -0.495014D-01 -0.297712D+01  0.330913D+00 -0.509687D+01 -0.433518D+01
      2  -0.371257D+01 -0.433490D+01 -0.509687D+01  0.149687D+01  0.223182D+01
      3  -0.433490D+01  0.379697D+01 -0.433518D+01  0.223182D+01 -0.202814D+01
                16            17            18            19            20 
      1  -0.411223D+01 -0.433742D+01  0.241722D+01  0.251644D+01  0.296385D+00
      2  -0.433742D+01  0.109731D+01 -0.241615D+01  0.296385D+00 -0.447842D+01
      3   0.241722D+01 -0.241615D+01  0.356178D+01 -0.274268D+01 -0.460752D+01
                21            22            23            24            25 
      1  -0.274268D+01 -0.829060D+00 -0.330342D+01 -0.460773D+01 -0.356998D+01
      2  -0.460752D+01 -0.330342D+01  0.401490D+01  0.142087D+01 -0.460562D+01
      3   0.253227D+01 -0.460773D+01  0.142087D+01 -0.263414D+01  0.370799D+01
                26            27            28            29            30 
      1  -0.460562D+01  0.370799D+01  0.236530D+01 -0.106065D+01 -0.329748D+01
      2   0.588154D+00 -0.151065D+01 -0.106065D+01 -0.481210D+01 -0.434170D+01
      3  -0.151065D+01  0.339018D+01 -0.329748D+01 -0.434170D+01  0.285977D+01
                31            32            33            34            35 
      1   0.487915D+00 -0.395697D+01 -0.434253D+01 -0.283424D+01 -0.434436D+01
      2  -0.395697D+01  0.958690D+00  0.123086D+01 -0.434436D+01  0.169884D+01
      3  -0.434253D+01  0.123086D+01 -0.219714D+01  0.371967D+01 -0.374530D+01
                36            37            38            39            40 
      1   0.371967D+01 -0.458088D+00  0.629914D+00 -0.423962D+01 -0.178688D+00
      2  -0.374530D+01  0.629914D+00 -0.353674D+01 -0.444469D+01 -0.419683D+01
      3   0.906437D+00 -0.423962D+01 -0.444469D+01  0.367824D+01 -0.444583D+01
                41            42            43            44            45 
      1  -0.419683D+01 -0.444583D+01 -0.273367D+01 -0.444655D+01  0.302106D+01
      2   0.380364D+01  0.542959D-01 -0.444655D+01  0.156277D+01 -0.242737D+01
      3   0.542959D-01 -0.324231D+01  0.302106D+01 -0.242737D+01  0.441353D+00
                46            47            48            49            50 
      1  -0.645809D+00  0.455763D+00 -0.653001D+00  0.691025D+00  0.306267D+00
      2   0.455763D+00 -0.552367D+00  0.111039D+01  0.306267D+00  0.189341D+01
      3  -0.653001D+00  0.111039D+01 -0.237958D+01  0.374098D+00 -0.219220D+01
                51            52            53            54            55 
      1   0.374098D+00 -0.100924D+01  0.421366D+00 -0.336773D+00  0.329207D+01
      2  -0.219220D+01  0.421366D+00 -0.207286D+01  0.264891D+01 -0.184040D+01
      3   0.287464D+01 -0.336773D+00  0.264891D+01 -0.728821D+01 -0.106664D+01
                56            57            58            59            60 
      1  -0.184040D+01 -0.106664D+01 -0.336470D+01  0.299078D+01  0.186479D+01
      2   0.215681D+01  0.106809D+01  0.299078D+01 -0.457693D+01 -0.184088D+01
      3   0.106809D+01  0.839658D+00  0.186479D+01 -0.184088D+01 -0.194051D+01
                61            62            63            64            65 
      1  -0.675304D+00  0.987284D+00  0.961661D+00  0.511164D+01  0.247711D+01
      2   0.987284D+00 -0.113132D+01 -0.907775D+00  0.247711D+01  0.244697D+01
      3   0.961661D+00 -0.907775D+00 -0.177764D+01  0.858095D+00  0.759394D+00
                66            67            68            69            70 
      1   0.858095D+00  0.315261D+01  0.295965D+01  0.699690D+00  0.263531D+01
      2   0.759394D+00  0.295965D+01  0.316717D+01  0.369414D+00  0.152849D+01
      3   0.806806D+00  0.699690D+00  0.369414D+00  0.120426D+01  0.844490D+00
                71            72            73            74            75 
      1   0.152849D+01  0.844490D+00 -0.235965D+01  0.296649D+00 -0.167549D+01
      2   0.135474D+01  0.101206D+01  0.296649D+00 -0.254929D+00  0.682111D+00
      3   0.101206D+01  0.856447D+00 -0.167549D+01  0.682111D+00 -0.224254D+01
                76            77            78            79            80 
      1   0.140142D+01 -0.373512D+00  0.148878D+01 -0.218035D+01  0.612900D+00
      2  -0.373512D+00  0.775888D+00 -0.123950D+01  0.612900D+00 -0.142290D+01
      3   0.148878D+01 -0.123950D+01  0.251987D+01 -0.304014D+01  0.913484D+00
                81            82            83            84            85 
      1  -0.304014D+01 -0.631407D+01 -0.200151D+01  0.196433D+01 -0.118136D+01
      2   0.913484D+00 -0.200151D+01 -0.135851D+01  0.877590D+00 -0.109683D+01
      3  -0.661968D+01  0.196433D+01  0.877590D+00 -0.191487D+01  0.801469D+00
                86            87            88            89            90 
      1  -0.109683D+01  0.801469D+00  0.371501D+01  0.163286D+01 -0.216135D+01
      2  -0.159040D+01  0.453364D+00  0.163286D+01  0.139839D+01 -0.669048D+00
      3   0.453364D+00 -0.306950D+00 -0.216135D+01 -0.669048D+00  0.186761D+01
                91            92            93            94            95 
      1   0.985165D+00 -0.127089D+01 -0.245208D+00 -0.140275D+01  0.117619D+01
      2  -0.127089D+01  0.319825D+01  0.129783D+01  0.117619D+01 -0.766422D+01
      3  -0.245208D+00  0.129783D+01  0.815564D+00  0.569781D+00 -0.226638D+01
                96            97            98            99           100 
      1   0.569781D+00 -0.165291D+00  0.612680D+00 -0.182444D-01 -0.208350D+01
      2  -0.226638D+01  0.612680D+00 -0.169771D+01 -0.140183D+01  0.147904D+01
      3  -0.157583D+01 -0.182444D-01 -0.140183D+01 -0.156949D+01 -0.983464D+00
               101           102           103           104           105 
      1   0.147904D+01 -0.983464D+00  0.109100D+01 -0.104601D+01  0.108741D+01
      2  -0.107872D+01  0.115760D+01 -0.104601D+01  0.310715D+01 -0.178378D+01
      3   0.115760D+01 -0.154197D+01  0.108741D+01 -0.178378D+01  0.184100D+01
               106           107           108           109           110 
      1  -0.189787D+01  0.191689D+01 -0.201245D+01  0.207216D+01  0.187254D+01
      2   0.191689D+01 -0.349446D+01  0.272401D+01  0.187254D+01  0.376615D+01
      3  -0.201245D+01  0.272401D+01 -0.417914D+01  0.134821D+01  0.175608D+01
               111           112           113           114           115 
      1   0.134821D+01  0.144014D+01  0.178333D+01  0.101951D+01  0.128171D+01
      2   0.175608D+01  0.178333D+01  0.491191D+01  0.184060D+01  0.107673D+01
      3   0.140174D+01  0.101951D+01  0.184060D+01  0.175386D+01  0.593239D+00
               116           117           118           119           120 
      1   0.107673D+01  0.593239D+00 -0.567374D+01  0.656631D+00  0.309228D+01
      2   0.228065D+01  0.218592D+01  0.656631D+00 -0.916693D+00  0.227619D-01
      3   0.218592D+01  0.209069D+01  0.309228D+01  0.227619D-01 -0.282669D+01
               121           122           123           124           125 
      1  -0.988689D+00 -0.335784D+00  0.830693D+00  0.333338D+01 -0.542717D-01
      2  -0.335784D+00 -0.260473D+00  0.415612D+00 -0.542717D-01  0.941416D+00
      3   0.830693D+00  0.415612D+00 -0.485796D+00 -0.291989D+01  0.670684D+00
               126           127           128           129           130 
      1  -0.291989D+01  0.247489D+01 -0.223268D+01  0.525520D+00 -0.239875D+01
      2   0.670684D+00 -0.223268D+01  0.295520D+01  0.160201D+00  0.313315D+01
      3   0.336528D+01  0.525520D+00  0.160201D+00  0.489548D+00  0.946531D-01
               131           132           133           134           135 
      1   0.313315D+01  0.946531D-01 -0.490011D+00  0.929198D+00  0.188845D+00
      2  -0.693125D+01  0.411974D+00  0.929198D+00 -0.141352D+01 -0.539029D+00
      3   0.411974D+00 -0.115543D+01  0.188845D+00 -0.539029D+00 -0.371737D+00
               136           137           138           139           140 
      1  -0.321811D+01 -0.102957D+01  0.278462D+01 -0.657789D+00 -0.432915D+00
      2  -0.102957D+01 -0.121700D+01  0.160532D+01 -0.432915D+00 -0.138877D+01
      3   0.278462D+01  0.160532D+01 -0.422937D+01  0.872855D+00  0.120470D+01
               141           142           143           144           145 
      1   0.872855D+00  0.213138D+01  0.925914D+00 -0.226523D+01  0.394374D+01
      2   0.120470D+01  0.925914D+00  0.107158D+01 -0.120748D+01  0.125268D+01
      3  -0.866709D+00 -0.226523D+01 -0.120748D+01  0.495083D+01  0.275087D+01
               146           147           148           149           150 
      1   0.125268D+01  0.275087D+01  0.233621D+01  0.180305D+01  0.194204D+01
      2   0.171827D+01  0.114401D+01  0.180305D+01  0.181682D+01  0.138705D+01
      3   0.114401D+01  0.233447D+01  0.194204D+01  0.138705D+01  0.276986D+01
               151           152           153 
      1   0.202040D+01  0.105619D+01  0.172010D+01
      2   0.105619D+01  0.941821D+00  0.120344D+01
      3   0.172010D+01  0.120344D+01  0.321961D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.857771D-02  0.294713D-02  0.760474D-02  0.467398D-02 -0.130331D-01
      2   0.843471D-02  0.145045D-01  0.482029D+01  0.108285D-01  0.125782D-02
      3  -0.213149D-01 -0.482135D+01 -0.510175D-02  0.481759D+01 -0.206286D-01
                 6             7             8             9            10 
      1  -0.481517D+01  0.170840D-01  0.481065D+01 -0.885981D-02  0.119741D+01
      2   0.262651D-02 -0.481311D+01 -0.450326D-02  0.436766D-02 -0.714278D+01
      3  -0.726390D-02  0.156555D-02  0.162560D-02 -0.149390D-01 -0.971389D+00
                11            12            13            14            15 
      1   0.685293D+01  0.376564D+01  0.858491D+01 -0.190565D+01 -0.433250D+01
      2  -0.631502D+01  0.328821D+01 -0.583691D+01 -0.267857D+01 -0.798682D+01
      3   0.447268D+01  0.511824D+01  0.101612D+02 -0.322845D+01 -0.590593D+01
                16            17            18            19            20 
      1   0.435665D+01  0.668118D+00  0.727789D+00 -0.329416D+01 -0.207282D+01
      2  -0.365034D+01 -0.857880D+01  0.980848D+01  0.665346D+01  0.632520D+01
      3   0.464005D+01 -0.417534D+01  0.422196D+01 -0.433190D+01 -0.730962D+01
                21            22            23            24            25 
      1   0.746331D+01 -0.315897D+01 -0.305521D+01 -0.551148D+01  0.892870D+01
      2  -0.387224D+01  0.529188D+01 -0.437408D+01 -0.158066D+01 -0.957221D+01
      3  -0.303215D+01 -0.973349D+00  0.102327D+02  0.753373D+01 -0.199632D+01
                26            27            28            29            30 
      1   0.577494D-01  0.633750D+01  0.455767D+01  0.468889D+01 -0.723720D+01
      2  -0.304985D+01 -0.229632D+01  0.115420D+01  0.472191D+01  0.478874D+00
      3   0.644683D+01 -0.587649D+01  0.461251D+01 -0.877761D+01 -0.928025D+01
                31            32            33            34            35 
      1   0.512993D+01 -0.245630D+01  0.361246D+01 -0.869997D+01  0.991173D+01
      2   0.393086D+01  0.776592D+00  0.472285D+01 -0.399394D+01  0.619186D+01
      3  -0.190729D+01 -0.712795D+01 -0.590757D+01 -0.848958D+01 -0.546548D+01
                36            37            38            39            40 
      1  -0.208438D+01 -0.244986D+01 -0.946240D+01 -0.401710D+01 -0.105496D+02
      2  -0.190537D+01 -0.669312D+00 -0.474855D+01  0.118510D+02 -0.340962D+01
      3   0.250767D+01  0.706519D+00 -0.139339D+00  0.719817D+01  0.448131D+01
                41            42            43            44            45 
      1   0.742361D+01 -0.552855D+01 -0.460547D+01  0.111390D+01 -0.498716D+01
      2   0.627442D+01  0.486238D+01  0.546437D+01  0.544962D+01 -0.561662D+01
      3   0.129557D+00  0.427469D+01  0.586316D+01  0.318513D+01 -0.843323D+00
                46            47            48            49            50 
      1  -0.300127D+00  0.913368D+00  0.847203D-01 -0.420478D+00 -0.221942D+01
      2  -0.268488D+01  0.178967D+01 -0.240722D+01  0.283470D+01 -0.247159D+01
      3  -0.139265D+01 -0.630573D-01 -0.149368D+01  0.145021D+01 -0.200580D+01
                51            52            53            54            55 
      1  -0.143061D+00 -0.440094D+00  0.419646D+01  0.715701D+00  0.250145D+01
      2   0.450958D+01 -0.526124D+01  0.436913D+01 -0.997458D+01  0.251979D+01
      3   0.286158D+01 -0.237688D+01  0.289856D+01 -0.394424D+01  0.267312D+01
                56            57            58            59            60 
      1  -0.387579D+01 -0.718536D+00 -0.362069D+01  0.695091D+01  0.371455D-01
      2  -0.527559D+00  0.167628D+01 -0.202232D+01  0.923076D+00 -0.192455D+01
      3  -0.582406D+01 -0.195266D+01 -0.248490D+01  0.908824D+01  0.270247D+01
                61            62            63            64            65 
      1  -0.157448D+01  0.290169D+01  0.939404D+00 -0.323109D+01 -0.294254D+01
      2  -0.827080D+00  0.124760D+00 -0.164074D+01  0.626445D+01  0.418144D+01
      3  -0.140120D+01  0.279651D+01  0.147669D+01 -0.454570D+00 -0.484188D+01
                66            67            68            69            70 
      1  -0.261681D+01 -0.333751D+01 -0.305936D+01 -0.305749D+01 -0.174063D+01
      2   0.478234D+01  0.422712D+01  0.386290D+01  0.431717D+01  0.233745D+01
      3  -0.968998D+00 -0.830714D+00 -0.426407D+01 -0.496345D+00 -0.232859D+00
                71            72            73            74            75 
      1  -0.815504D+00 -0.228836D+01 -0.202430D+01  0.210206D+01 -0.331424D+01
      2   0.290463D+01  0.319359D+01 -0.835005D+00 -0.694867D+00  0.291310D+01
      3  -0.210489D+01 -0.117597D+01  0.240747D+01 -0.207697D+01  0.269496D+01
                76            77            78            79            80 
      1   0.149377D+01 -0.313887D+01  0.251678D+01 -0.371361D+01  0.562271D+01
      2   0.522469D+00  0.125585D+01 -0.215511D+01 -0.108725D+01 -0.937856D+00
      3  -0.486542D+00  0.197906D+01 -0.273664D+01  0.262091D+01 -0.394352D+01
                81            82            83            84            85 
      1  -0.752370D+01  0.400465D+01  0.116984D+01 -0.408704D+01  0.179048D+01
      2   0.616629D+01 -0.651317D+01 -0.253990D+01  0.712700D+01 -0.207106D+01
      3   0.466917D+01  0.522979D+01 -0.201403D+01 -0.144660D+01  0.147624D+01
                86            87            88            89            90 
      1   0.125961D+01 -0.178540D+01 -0.336904D+01  0.708100D-02  0.330811D+01
      2  -0.128209D+01  0.177667D+01  0.370123D+01  0.159391D+01 -0.554525D+01
      3  -0.112135D+01 -0.536320D+00 -0.269098D+01  0.129489D+01  0.178722D+01
                91            92            93            94            95 
      1   0.869797D+00 -0.149125D+01  0.963965D+00 -0.580111D+00  0.447807D+01
      2   0.162836D+01 -0.221335D+01  0.181416D+00 -0.302130D+01  0.380907D+01
      3  -0.393639D+01  0.353057D+01  0.135172D+01  0.675066D+01 -0.965216D+01
                96            97            98            99           100 
      1  -0.283953D+01 -0.604509D+00  0.122169D+01 -0.122867D+01  0.200030D+01
      2   0.173023D+01 -0.123787D+01  0.194463D+01  0.132866D+01  0.865709D+00
      3  -0.321564D+01  0.178303D+01 -0.291930D+01 -0.137127D+01 -0.230764D+01
               101           102           103           104           105 
      1  -0.179052D+01  0.403972D+01 -0.237803D+01  0.317170D+01 -0.579378D+01
      2  -0.160337D+01  0.318744D+01 -0.752782D+00  0.204757D+01 -0.304658D+01
      3  -0.161614D+00 -0.367189D+00  0.249131D+01  0.142929D+01  0.347058D+00
               106           107           108           109           110 
      1   0.360054D+01 -0.278148D+01  0.932012D+01 -0.132974D+01 -0.710358D-01
      2   0.151085D+00 -0.276450D+01  0.564714D+01 -0.304075D+01 -0.207391D+01
      3  -0.253002D+01 -0.101378D+01 -0.839630D+00  0.634263D+01  0.371657D+01
               111           112           113           114           115 
      1  -0.257343D+01 -0.983142D+00  0.119737D+00 -0.411713D+01 -0.465158D+00
      2  -0.240700D+00 -0.270310D+01 -0.248876D+01 -0.136111D+01 -0.264538D+01
      3   0.339454D+01  0.652042D+01  0.600395D+01  0.345757D+01  0.439436D+01
               116           117           118           119           120 
      1  -0.626029D+00 -0.289408D+01 -0.460843D+01 -0.218427D+01  0.477169D+01
      2  -0.211004D+01 -0.123260D+01  0.116850D+01 -0.388791D+00  0.350231D+01
      3   0.316523D+01  0.260689D+01 -0.796962D+01 -0.289397D+01  0.497545D+01
               121           122           123           124           125 
      1  -0.106499D+01 -0.119586D+01 -0.597664D-01  0.434601D+01  0.178054D+01
      2   0.702395D-01 -0.234266D+00  0.334936D+00 -0.953627D+00 -0.441467D+00
      3  -0.500163D+00 -0.131270D+01  0.129662D+01  0.546473D+01  0.257388D+01
               126           127           128           129           130 
      1  -0.458827D+01 -0.277711D+01  0.498172D+01  0.213629D+01  0.483540D+01
      2  -0.274540D+01 -0.295583D+01  0.329586D+01  0.131352D+01  0.376730D+01
      3  -0.393099D+01 -0.158531D+01 -0.175620D+01 -0.548647D+00  0.268636D+01
               131           132           133           134           135 
      1  -0.987512D+01 -0.397843D+01  0.116158D+01 -0.123950D+01 -0.184280D+01
      2  -0.462919D+01 -0.252211D+01 -0.196684D+00 -0.138357D+01 -0.974235D+00
      3   0.308038D+01 -0.223754D+00  0.294542D+00  0.408382D+00  0.226140D+00
               136           137           138           139           140 
      1   0.764724D+00 -0.202236D+01 -0.151819D+01  0.253459D+00 -0.145130D+01
      2   0.848064D+01  0.213841D+01 -0.426940D+01  0.233776D+01  0.115990D+01
      3   0.400638D+01 -0.541620D+00 -0.289941D+01  0.182023D+01  0.634089D+00
               141           142           143           144           145 
      1  -0.247085D+00 -0.451780D+00  0.279816D+01  0.251584D+01  0.412740D+01
      2  -0.183835D+01 -0.755726D+01 -0.223918D+01  0.549254D+01 -0.490111D+01
      3  -0.138145D+01 -0.326501D+01 -0.480891D+00  0.270550D+01 -0.300760D+01
               146           147           148           149           150 
      1   0.520123D+01  0.284962D+01  0.400017D+01  0.496627D+01  0.207526D+01
      2  -0.136151D+01 -0.364434D+00 -0.317607D+01 -0.195211D+01  0.158854D+00
      3  -0.446682D+01 -0.273852D+01 -0.150366D+01 -0.384428D+01 -0.206214D+01
               151           152           153 
      1   0.325416D+01  0.434037D+01  0.358194D+01
      2  -0.382711D+01 -0.106869D+01  0.289387D+00
      3  -0.207950D+01 -0.266783D+01 -0.220439D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.509499D+01 -0.340482D+01  0.309527D+01 -0.340533D+01 -0.204953D+01
      2  -0.207026D+01  0.364584D+01 -0.145157D+01  0.364464D+01  0.199553D+01
      3  -0.302473D+01 -0.241024D+00 -0.164370D+01 -0.239308D+00  0.540005D-01
      4  -0.342109D+01 -0.260266D+01 -0.978520D+00 -0.260257D+01  0.366050D+01
      5   0.308605D+01 -0.986084D+00 -0.356475D+01 -0.982455D+00 -0.144760D+01
      6  -0.983803D+00 -0.144741D+01 -0.251278D+00 -0.144730D+01 -0.424771D+01
                 6             7             8             9            10 
      1  -0.975769D+00  0.311121D+01 -0.960774D+00 -0.303500D+01 -0.605247D+01
      2  -0.423200D+01 -0.144633D+01 -0.422375D+01  0.613218D-01 -0.402397D+01
      3   0.520777D+01 -0.166488D+01  0.518452D+01  0.297368D+01  0.100764D+02
      4  -0.144518D+01 -0.961105D+00 -0.144964D+01 -0.259797D+00 -0.142856D+01
      5  -0.243157D+00 -0.357184D+01 -0.241178D+00 -0.165449D+01 -0.626030D+01
      6  -0.483387D+00 -0.254986D+00 -0.489966D+00  0.519642D+01 -0.442013D+01
                11            12            13            14            15 
      1  -0.443899D+01 -0.256465D+01 -0.467654D+01 -0.865582D+01 -0.150035D+02
      2  -0.665474D+01  0.369944D+01 -0.556688D+01  0.544106D+01  0.182964D+01
      3   0.110937D+02 -0.113479D+01  0.102434D+02  0.321477D+01  0.131739D+02
      4  -0.133973D+02 -0.106421D+02 -0.141633D+02  0.252592D+01  0.179732D+01
      5  -0.920481D+01  0.644319D+01 -0.100104D+02  0.716665D+01  0.309571D+01
      6   0.464501D+01  0.904040D+01  0.502932D+01 -0.391389D+01 -0.736889D+01
                16            17            18            19            20 
      1  -0.272804D+01 -0.152489D+02  0.147032D+02 -0.939903D+01 -0.935836D+01
      2   0.315830D+01  0.257314D+01 -0.141825D+01  0.290488D+01  0.633621D+01
      3  -0.430262D+00  0.126758D+02 -0.132849D+02  0.649415D+01  0.302215D+01
      4  -0.116956D+02  0.881442D+00 -0.107228D+01 -0.420206D+01  0.177528D+01
      5   0.665686D+01  0.249224D+01 -0.906615D+00  0.544340D+01  0.770634D+01
      6   0.758866D+01 -0.747142D+01  0.835124D+01  0.702121D+01  0.113591D+02
                21            22            23            24            25 
      1   0.579878D+01 -0.955895D+01  0.147595D+02  0.985266D+01  0.633654D+01
      2   0.930088D+01  0.534941D+01 -0.150746D+02 -0.116032D+02  0.841425D+01
      3  -0.150997D+02  0.420954D+01  0.315144D+00  0.175054D+01 -0.147508D+02
      4   0.116816D+02  0.267286D+01  0.339173D+01  0.507132D+01  0.124658D+02
      5  -0.631618D+01  0.783183D+01  0.438119D+01  0.847429D+01 -0.738697D+01
      6   0.179159D+00  0.103503D+02 -0.793779D+01 -0.172992D+01  0.254293D+00
                26            27            28            29            30 
      1   0.105189D+02 -0.536624D+01 -0.352782D+01  0.751708D+01  0.115693D+02
      2  -0.117554D+02  0.121649D+02  0.539515D+01 -0.966197D+01 -0.178779D+02
      3   0.123651D+01 -0.679865D+01 -0.186733D+01  0.214489D+01  0.630862D+01
      4   0.519789D+01  0.793782D+00  0.265898D+01 -0.595088D+00 -0.224295D+01
      5   0.735464D+01 -0.982793D+01  0.705737D+01  0.325590D+01 -0.109443D+02
      6  -0.947615D+00  0.921380D+00 -0.566492D+01 -0.140714D+02  0.468626D+01
                31            32            33            34            35 
      1   0.767115D+01  0.568923D+01  0.615518D+01  0.121170D+02  0.523044D+01
      2  -0.930917D+01 -0.238383D+01 -0.589219D-01 -0.177209D+02 -0.139106D+00
      3   0.163802D+01 -0.330539D+01 -0.609626D+01  0.560395D+01 -0.509133D+01
      4  -0.190301D+00 -0.111423D+02 -0.121593D+02 -0.166112D+01 -0.129913D+02
      5   0.476255D+01 -0.722247D+01  0.114425D+01 -0.110747D+02  0.221203D+01
      6  -0.130858D+02  0.261026D+01 -0.959241D+01  0.524336D+01 -0.100615D+02
                36            37            38            39            40 
      1  -0.215122D+01  0.311325D+01  0.184641D+01 -0.107485D+02  0.213328D+01
      2  -0.301462D+01  0.428906D+01  0.147664D+02  0.299572D+01  0.143130D+02
      3   0.516583D+01 -0.740231D+01 -0.166128D+02  0.775278D+01 -0.164463D+02
      4   0.848962D+01 -0.145520D+01 -0.802512D+01 -0.559115D-01 -0.855005D+01
      5   0.165797D+00 -0.219128D+01 -0.301041D+01 -0.106938D+02 -0.384141D+01
      6   0.306080D+01  0.181346D+01 -0.382188D+01 -0.142355D+02 -0.417370D+01
                41            42            43            44            45 
      1  -0.323410D+01 -0.228194D+01 -0.116855D+02 -0.179195D+01  0.123932D+00
      2  -0.787572D+01  0.433066D+01  0.425647D+01  0.381840D+01  0.359141D+01
      3   0.111098D+02 -0.204872D+01  0.742902D+01 -0.202644D+01 -0.371535D+01
      4   0.998807D+01  0.340573D+01 -0.389008D+00  0.502179D+01 -0.852506D+01
      5  -0.619486D+01 -0.130597D+02 -0.968555D+01 -0.123981D+02  0.840253D+01
      6   0.375057D+01  0.122775D+01 -0.134168D+02  0.101470D+01 -0.555266D+01
                46            47            48            49            50 
      1  -0.131536D+01  0.338620D+01 -0.587099D+01  0.300911D+01 -0.609170D+01
      2  -0.609187D+00 -0.106490D+01 -0.153715D+01 -0.853272D+00  0.242755D+01
      3   0.192455D+01 -0.232129D+01  0.740814D+01 -0.215584D+01  0.366414D+01
      4  -0.746440D+00  0.232977D+01 -0.241380D+00  0.387497D+01  0.238585D+01
      5   0.286859D+01 -0.795673D+00  0.315053D+01 -0.159755D+01 -0.288373D+01
      6  -0.190918D+01  0.295920D+01 -0.395474D+01  0.147795D+00 -0.905577D+01
                51            52            53            54            55 
      1   0.988461D+01 -0.446246D+01  0.955740D+01 -0.205851D+02  0.133167D+02
      2  -0.947927D-02  0.128872D+01 -0.212989D+00 -0.105951D+02 -0.753048D+01
      3  -0.987513D+01  0.317373D+01 -0.934441D+01  0.311801D+02 -0.578619D+01
      4  -0.298776D+01 -0.621616D+00 -0.363332D+01  0.386097D+01 -0.807295D+01
      5   0.386712D+01  0.558663D+01  0.323718D+01 -0.965233D+01 -0.991014D+01
      6   0.121498D+02 -0.137134D+01  0.119057D+02 -0.160010D+02  0.486428D+01
                56            57            58            59            60 
      1  -0.606002D+01 -0.318828D+01 -0.906852D+01  0.319239D+01  0.149010D+01
      2   0.484773D+01  0.406134D+01  0.605549D+01  0.639828D+00 -0.400100D+01
      3   0.121228D+01 -0.873060D+00  0.301303D+01 -0.383222D+01  0.251090D+01
      4   0.109669D+02  0.424561D+01  0.124655D+02 -0.158528D+02 -0.526896D+01
      5   0.699363D+01  0.725239D+01  0.103193D+02 -0.794747D+01 -0.890195D+01
      6  -0.549890D+01 -0.350655D+01 -0.661417D+01  0.121923D+02  0.765758D+01
                61            62            63            64            65 
      1  -0.193043D+01  0.194565D+01 -0.131424D+01  0.230283D+02  0.951697D+01
      2   0.375443D+01 -0.300562D+01 -0.384743D+01 -0.642376D+01  0.909355D+00
      3  -0.182399D+01  0.105997D+01  0.516167D+01 -0.166046D+02 -0.104263D+02
      4   0.371811D+01 -0.371533D+01 -0.352403D+01  0.153665D+02  0.139134D+02
      5   0.706080D+01 -0.562421D+01 -0.695757D+01 -0.196268D+01 -0.350668D-02
      6  -0.391621D+01  0.676469D+01  0.305398D+01 -0.163771D+01 -0.298040D+01
                66            67            68            69            70 
      1   0.420042D+01  0.108633D+02  0.521440D+01  0.332518D+01  0.831115D+01
      2  -0.405671D-01  0.780764D+00  0.581957D+01  0.178327D+01 -0.208587D+01
      3  -0.415985D+01 -0.116441D+02 -0.110340D+02 -0.510846D+01 -0.622529D+01
      4   0.359213D+01  0.152557D+02  0.141767D+02  0.224502D+01  0.635720D+01
      5   0.478305D+01 -0.882668D+00 -0.112879D+01  0.365724D+01  0.365008D+01
      6   0.343141D+00 -0.270200D+01 -0.191293D+01  0.350838D+01  0.584970D+00
                71            72            73            74            75 
      1   0.340638D+01  0.129061D+01  0.748408D+01 -0.491826D+00  0.349758D+01
      2   0.218526D+01 -0.300639D+00 -0.820149D+01  0.175520D+01 -0.900555D+01
      3  -0.559163D+01 -0.989971D+00  0.717407D+00 -0.126337D+01  0.550797D+01
      4   0.546243D+01  0.366913D+01  0.151958D+01  0.303889D+01 -0.632552D+00
      5   0.266557D+01  0.442742D+01  0.999761D+01 -0.289836D+01  0.131250D+02
      6   0.232292D+01  0.112150D+01  0.298303D+00  0.206317D+00  0.218086D+01
                76            77            78            79            80 
      1  -0.258508D+01 -0.164476D+01 -0.474944D+00  0.381570D+01 -0.184242D+01
      2   0.353608D+01 -0.672879D+00  0.725005D+01 -0.103690D+02  0.611722D+01
      3  -0.950995D+00  0.231764D+01 -0.677511D+01  0.655328D+01 -0.427481D+01
      4   0.221658D+01 -0.356898D+01  0.284181D+01  0.339436D+00  0.380507D+01
      5  -0.581907D+01  0.320388D+01 -0.693900D+01  0.147839D+02 -0.337300D+01
      6   0.614194D+00 -0.244290D+01  0.354563D+01  0.229821D+01  0.497382D+01
                81            82            83            84            85 
      1  -0.329850D+01  0.266436D+02  0.603090D+01 -0.820308D+01  0.433960D+01
      2  -0.194971D+02 -0.822606D+01  0.130243D+01  0.584432D+00  0.175810D+01
      3   0.227956D+02 -0.184176D+02 -0.733333D+01  0.761864D+01 -0.609770D+01
      4  -0.170150D-01  0.176610D+02  0.108316D+02 -0.603134D+01  0.952308D+01
      5   0.215704D+02 -0.393300D+01 -0.141530D+01  0.762627D+01 -0.118730D+01
      6   0.447178D+01 -0.392802D+01 -0.195721D+01  0.461712D+01 -0.250244D+01
                86            87            88            89            90 
      1   0.727933D+00 -0.206921D+01 -0.118418D+02 -0.212831D+01  0.497870D+01
      2   0.452498D+01 -0.945512D-01  0.253467D+01 -0.167287D+01 -0.323400D+01
      3  -0.525292D+01  0.216376D+01  0.930710D+01  0.380118D+01 -0.174470D+01
      4   0.665766D+01 -0.403274D+01 -0.941868D+01 -0.707517D+01  0.463026D+01
      5  -0.178575D+01  0.517476D+00  0.740508D+01  0.155611D+01 -0.666515D+01
      6  -0.202690D+00  0.328383D+01  0.444571D+01  0.318620D+01 -0.568469D+01
                91            92            93            94            95 
      1  -0.161397D+01  0.836590D+01  0.255060D+01  0.673460D+01 -0.226145D+02
      2   0.355963D+01 -0.103665D+02 -0.207567D+01 -0.613002D+01  0.330130D+02
      3  -0.194566D+01  0.200056D+01 -0.474932D+00 -0.604575D+00 -0.103984D+02
      4  -0.375549D+01  0.411593D+01  0.263527D+00  0.570910D+01  0.454822D+01
      5  -0.301755D+01  0.180418D+01  0.214808D+01  0.240581D+01 -0.268288D+00
      6   0.220627D+01 -0.634090D+01 -0.463803D+01 -0.324269D+01  0.181575D+02
                96            97            98            99           100 
      1  -0.826163D+01  0.124874D+01 -0.742554D+01 -0.491001D+01  0.460783D+01
      2   0.730501D+01 -0.188054D+01  0.619206D+01  0.190962D+01  0.314523D+00
      3   0.956619D+00  0.631797D+00  0.123348D+01  0.300039D+01 -0.492236D+01
      4   0.122764D+01 -0.173364D-02  0.112640D+01  0.341772D+00 -0.889978D+01
      5   0.571388D+00  0.313119D+01 -0.241149D+00  0.162204D+01  0.339416D+01
      6   0.112915D+02 -0.184993D+01  0.104866D+02  0.691887D+01 -0.354681D+01
               101           102           103           104           105 
      1  -0.180978D+01  0.106806D+01 -0.104057D+01 -0.573562D+01  0.153537D+01
      2  -0.320102D+01  0.276827D+01 -0.366612D+01  0.139874D+02 -0.669223D+01
      3   0.501080D+01 -0.383633D+01  0.470669D+01 -0.825179D+01  0.515687D+01
      4   0.890178D+01 -0.546969D+01  0.805662D+01 -0.918943D+01  0.706332D+01
      5  -0.316728D+01  0.693400D+01 -0.257061D+01  0.420922D+01 -0.374279D+01
      6   0.463249D+01 -0.539678D+01  0.482523D+01 -0.785093D+01  0.101534D+02
               106           107           108           109           110 
      1   0.210588D+01  0.374065D+01 -0.266511D+01 -0.240835D+01 -0.886735D+01
      2   0.259177D+01 -0.104591D+02  0.311100D+01  0.409829D+01  0.132304D+02
      3  -0.469765D+01  0.671841D+01 -0.445889D+00 -0.168994D+01 -0.436307D+01
      4  -0.869378D+01  0.102475D+02 -0.795054D+01  0.896583D+01  0.753994D+01
      5   0.730670D+01 -0.502134D+01  0.936307D+01  0.296670D+01  0.185971D+01
      6  -0.626385D+01  0.117841D+02 -0.157970D+02  0.535536D+01  0.856770D+01
               111           112           113           114           115 
      1  -0.562310D+01 -0.658264D+01 -0.160641D+02 -0.806923D+01 -0.495575D+01
      2   0.425753D+01  0.829628D+01  0.242451D+02  0.780673D+01  0.402122D+01
      3   0.136557D+01 -0.171365D+01 -0.818099D+01  0.262496D+00  0.934539D+00
      4   0.400631D+01  0.735603D+01  0.497499D+01  0.309795D+01  0.422643D+01
      5   0.371457D+01  0.122751D+01  0.155804D+01 -0.123845D-01  0.431202D+01
      6   0.679208D+01  0.581997D+01  0.130466D+02  0.111214D+02  0.371914D+01
               116           117           118           119           120 
      1  -0.892258D+01 -0.718067D+01  0.189682D+02  0.397064D+00 -0.763395D+01
      2   0.864126D+01  0.406070D+01 -0.137254D+02 -0.261803D+01  0.100376D+02
      3   0.281316D+00  0.311997D+01 -0.524282D+01  0.222097D+01 -0.240360D+01
      4   0.280244D+01  0.144511D+01 -0.121708D+02  0.643072D+01  0.647365D+01
      5   0.471218D+00  0.121359D+01 -0.161098D+02  0.942047D+00  0.136655D+02
      6   0.122794D+02  0.100703D+02  0.687052D+01 -0.165428D+01 -0.700299D+01
               121           122           123           124           125 
      1   0.281940D+01  0.537012D+00 -0.128947D+01 -0.814845D+01 -0.182194D+01
      2  -0.314528D+01 -0.335701D+00  0.306180D+01  0.103179D+02  0.302847D+01
      3   0.325876D+00 -0.201311D+00 -0.177233D+01 -0.216947D+01 -0.120653D+01
      4   0.360362D+01  0.903252D+00 -0.124046D+01  0.744134D+01 -0.255088D+01
      5  -0.187590D+01 -0.185290D+01  0.156326D+01  0.139206D+02 -0.139249D+01
      6  -0.816176D+00 -0.636978D-01  0.299895D+01 -0.635971D+01  0.522766D+01
               126           127           128           129           130 
      1   0.194560D+01  0.491724D+01 -0.211912D+01 -0.219603D+00 -0.233386D+01
      2  -0.874440D+01  0.165014D+01 -0.742758D+01 -0.129696D+01 -0.750549D+01
      3   0.679880D+01 -0.656738D+01  0.954670D+01  0.151656D+01  0.983935D+01
      4  -0.616525D+01 -0.104669D+02  0.129350D+02 -0.464761D+00  0.133658D+02
      5  -0.131651D+02  0.480021D+01 -0.379318D+01  0.456468D+01 -0.484505D+01
      6   0.709458D+01 -0.413476D+01  0.643481D+01 -0.122787D+01  0.619254D+01
               131           132           133           134           135 
      1  -0.637316D+01  0.270757D+01 -0.112131D+01  0.476336D+00 -0.703102D+00
      2   0.237998D+02  0.129708D+01 -0.102541D+01  0.402826D+01  0.133730D+01
      3  -0.174266D+02 -0.400466D+01  0.214671D+01 -0.450460D+01 -0.634202D+00
      4  -0.182331D+02  0.541226D+00  0.227746D+01 -0.250974D+01 -0.162139D+01
      5   0.585713D+01 -0.209518D+01  0.263247D+01 -0.974968D+00 -0.115298D+01
      6  -0.135899D+02  0.628847D+01 -0.541667D+00  0.340500D+01  0.936840D+00
               136           137           138           139           140 
      1  -0.224005D+01 -0.367648D+01  0.927064D+01 -0.264101D+01 -0.362901D+01
      2  -0.429188D+01  0.445784D+00  0.547051D+01 -0.385596D+00  0.249031D+01
      3   0.653192D+01  0.323069D+01 -0.147411D+02  0.302661D+01  0.113869D+01
      4   0.647987D+01  0.452237D+01 -0.414977D+01  0.457478D+01  0.760291D+00
      5  -0.127123D+02 -0.297967D+01  0.114181D+02 -0.203823D+01 -0.195598D+01
      6  -0.525174D+01 -0.679233D+01  0.920167D+01 -0.375539D+01 -0.616106D+01
               141           142           143           144           145 
      1   0.485224D+01  0.735587D+01  0.520313D+01 -0.141880D+02  0.996452D+01
      2  -0.124149D+01  0.269533D+01 -0.530139D+00 -0.966946D+01 -0.124000D+02
      3  -0.361076D+01 -0.100512D+02 -0.467299D+01  0.238574D+02  0.243553D+01
      4  -0.236734D+01 -0.360671D+01 -0.189223D+01  0.397168D+01  0.196759D+01
      5   0.297860D+01  0.104433D+02  0.327949D+01 -0.872550D+01  0.164833D+02
      6   0.814164D+01  0.625146D+01  0.807463D+01 -0.113837D+02  0.304767D+01
               146           147           148           149           150 
      1   0.316635D+01  0.300197D+01  0.432196D+01  0.681497D+00 -0.137702D+01
      2  -0.624476D+01 -0.989054D+01 -0.717181D+01 -0.146054D+01 -0.673178D+01
      3   0.307840D+01  0.688856D+01  0.284985D+01  0.779040D+00  0.810880D+01
      4   0.525420D+01  0.645862D+00  0.476799D+01  0.401367D+01  0.221080D+01
      5   0.569216D+01  0.146298D+02  0.910367D+01  0.631173D+01  0.912486D+01
      6   0.576005D+01  0.317310D+01  0.536067D+01  0.762179D+01  0.574241D+01
               151           152           153 
      1   0.247138D+01  0.637228D-01 -0.293565D+01
      2  -0.850524D+01 -0.458493D+01 -0.112060D+02
      3   0.603387D+01  0.452121D+01  0.141416D+02
      4   0.223628D+00  0.127260D+01  0.193303D+01
      5   0.127656D+02  0.599810D+01  0.119431D+02
      6   0.358880D+01  0.548071D+01  0.322113D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:56:20 2022, MaxMem=  5368709120 cpu:            3586.8 elap:             448.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19221 -10.16863 -10.16863 -10.16863 -10.16859
 Alpha  occ. eigenvalues --   -0.82407  -0.68601  -0.68601  -0.68600  -0.53441
 Alpha  occ. eigenvalues --   -0.44963  -0.44963  -0.44963  -0.40180  -0.40180
 Alpha  occ. eigenvalues --   -0.36410  -0.36410  -0.36410  -0.32240  -0.32240
 Alpha  occ. eigenvalues --   -0.32239
 Alpha virt. eigenvalues --   -0.01231   0.01247   0.01247   0.01247   0.03187
 Alpha virt. eigenvalues --    0.03187   0.03187   0.04117   0.04117   0.05957
 Alpha virt. eigenvalues --    0.06862   0.06862   0.06862   0.09082   0.09082
 Alpha virt. eigenvalues --    0.09082   0.11016   0.11100   0.11100   0.11100
 Alpha virt. eigenvalues --    0.12784   0.12784   0.12784   0.13292   0.13293
 Alpha virt. eigenvalues --    0.15053   0.15053   0.15053   0.16308   0.16308
 Alpha virt. eigenvalues --    0.16308   0.16517   0.16895   0.16896   0.22605
 Alpha virt. eigenvalues --    0.22605   0.22606   0.23941   0.23942   0.23942
 Alpha virt. eigenvalues --    0.26423   0.26424   0.26424   0.30907   0.30908
 Alpha virt. eigenvalues --    0.30908   0.31623   0.35863   0.35864   0.36491
 Alpha virt. eigenvalues --    0.36491   0.36492   0.37019   0.37019   0.37020
 Alpha virt. eigenvalues --    0.38553   0.38553   0.38553   0.38671   0.42699
 Alpha virt. eigenvalues --    0.42700   0.44512   0.45108   0.45108   0.45108
 Alpha virt. eigenvalues --    0.46174   0.46174   0.46175   0.46669   0.46670
 Alpha virt. eigenvalues --    0.51671   0.52299   0.52299   0.52299   0.53930
 Alpha virt. eigenvalues --    0.53931   0.53931   0.57981   0.57981   0.57981
 Alpha virt. eigenvalues --    0.59031   0.59031   0.59032   0.59672   0.61071
 Alpha virt. eigenvalues --    0.63213   0.63214   0.63215   0.67492   0.67492
 Alpha virt. eigenvalues --    0.67492   0.69673   0.69673   0.76540   0.76540
 Alpha virt. eigenvalues --    0.76541   0.77055   0.77056   0.77057   0.77282
 Alpha virt. eigenvalues --    0.77282   0.79592   0.79593   0.79593   0.83539
 Alpha virt. eigenvalues --    0.83540   0.83541   0.86958   0.90720   0.90721
 Alpha virt. eigenvalues --    0.90722   0.91828   0.91829   1.02763   1.02766
 Alpha virt. eigenvalues --    1.04163   1.04164   1.04165   1.13615   1.14993
 Alpha virt. eigenvalues --    1.14995   1.14995   1.18734   1.18735   1.18735
 Alpha virt. eigenvalues --    1.33970   1.33971   1.33972   1.38757   1.38758
 Alpha virt. eigenvalues --    1.38758   1.47369   1.47370   1.47371   1.54671
 Alpha virt. eigenvalues --    1.54672   1.56804   1.57333   1.57335   1.57336
 Alpha virt. eigenvalues --    1.60615   1.60618   1.67390   1.75980   1.75983
 Alpha virt. eigenvalues --    1.75983   1.80316   1.80316   1.80316   1.81907
 Alpha virt. eigenvalues --    1.81909   1.83163   1.83167   1.83169   1.90807
 Alpha virt. eigenvalues --    1.90807   1.90809   2.01137   2.01138   2.01138
 Alpha virt. eigenvalues --    2.01963   2.03872   2.03875   2.03875   2.06775
 Alpha virt. eigenvalues --    2.06777   2.10042   2.10047   2.10049   2.23822
 Alpha virt. eigenvalues --    2.23823   2.23825   2.24880   2.24884   2.30338
 Alpha virt. eigenvalues --    2.33257   2.33258   2.33259   2.35308   2.35310
 Alpha virt. eigenvalues --    2.35311   2.45442   2.45443   2.54300   2.54570
 Alpha virt. eigenvalues --    2.54572   2.54573   2.60790   2.60792   2.60793
 Alpha virt. eigenvalues --    2.68536   2.68540   2.68541   2.76023   2.76023
 Alpha virt. eigenvalues --    2.76024   2.93600   3.00830   3.00835   3.21336
 Alpha virt. eigenvalues --    3.21340   3.21343
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.047500  -0.820089  -0.820121  -0.820110  -0.819951   0.116385
     2  C   -0.820089   5.198871  -0.098924  -0.098995  -0.098729   0.001615
     3  C   -0.820121  -0.098924   5.198835  -0.098873  -0.098828   0.036836
     4  C   -0.820110  -0.098995  -0.098873   5.198951  -0.098886   0.036857
     5  C   -0.819951  -0.098729  -0.098828  -0.098886   5.198458  -0.051028
     6  H    0.116385   0.001615   0.036836   0.036857  -0.051028   2.421754
     7  H    0.116861   0.001278   0.036794  -0.051087   0.036804  -0.604012
     8  H    0.117013   0.001327  -0.051077   0.036772   0.036758  -0.604010
     9  H    0.116711   0.036247   0.001449   0.037360  -0.051049  -0.092400
    10  H    0.116906  -0.051062   0.001381   0.036262   0.037278   0.030796
    11  H    0.116666   0.037349   0.001370  -0.051076   0.036303   0.009469
    12  H    0.117044   0.036926   0.036674   0.001149  -0.051066  -0.092415
    13  H    0.116480   0.036686  -0.051062   0.001520   0.036980   0.009439
    14  H    0.116709  -0.051078   0.036940   0.001473   0.036656   0.030812
    15  H    0.116614   0.036551   0.036994  -0.051035   0.001562   0.030811
    16  H    0.116876  -0.051062   0.036563   0.037026   0.001307  -0.043613
    17  H    0.116940   0.037048  -0.051051   0.036501   0.001312   0.030823
               7          8          9         10         11         12
     1  C    0.116861   0.117013   0.116711   0.116906   0.116666   0.117044
     2  C    0.001278   0.001327   0.036247  -0.051062   0.037349   0.036926
     3  C    0.036794  -0.051077   0.001449   0.001381   0.001370   0.036674
     4  C   -0.051087   0.036772   0.037360   0.036262  -0.051076   0.001149
     5  C    0.036804   0.036758  -0.051049   0.037278   0.036303  -0.051066
     6  H   -0.604012  -0.604010  -0.092400   0.030796   0.009469  -0.092415
     7  H    2.421480  -0.603838   0.009404   0.030813  -0.092405   0.030810
     8  H   -0.603838   2.421354   0.030801  -0.043610   0.030807   0.009443
     9  H    0.009404   0.030801   2.421677  -0.604000  -0.604008  -0.092422
    10  H    0.030813  -0.043610  -0.604000   2.421536  -0.603918   0.009390
    11  H   -0.092405   0.030807  -0.604008  -0.603918   2.421588   0.030825
    12  H    0.030810   0.009443  -0.092422   0.009390   0.030825   2.421413
    13  H    0.030795  -0.092402   0.030813   0.030803  -0.043610  -0.604018
    14  H   -0.043610   0.030801   0.009470  -0.092408   0.030793  -0.603960
    15  H   -0.092430   0.009400   0.030801   0.009469  -0.092428  -0.043614
    16  H    0.030812   0.030819   0.030824  -0.092433   0.009377   0.030809
    17  H    0.009426  -0.092432  -0.043615   0.030813   0.030819   0.030805
              13         14         15         16         17
     1  C    0.116480   0.116709   0.116614   0.116876   0.116940
     2  C    0.036686  -0.051078   0.036551  -0.051062   0.037048
     3  C   -0.051062   0.036940   0.036994   0.036563  -0.051051
     4  C    0.001520   0.001473  -0.051035   0.037026   0.036501
     5  C    0.036980   0.036656   0.001562   0.001307   0.001312
     6  H    0.009439   0.030812   0.030811  -0.043613   0.030823
     7  H    0.030795  -0.043610  -0.092430   0.030812   0.009426
     8  H   -0.092402   0.030801   0.009400   0.030819  -0.092432
     9  H    0.030813   0.009470   0.030801   0.030824  -0.043615
    10  H    0.030803  -0.092408   0.009469  -0.092433   0.030813
    11  H   -0.043610   0.030793  -0.092428   0.009377   0.030819
    12  H   -0.604018  -0.603960  -0.043614   0.030809   0.030805
    13  H    2.421746  -0.603947   0.030816   0.009454  -0.092434
    14  H   -0.603947   2.421588   0.030822  -0.092439   0.009411
    15  H    0.030816   0.030822   2.421915  -0.604013  -0.604001
    16  H    0.009454  -0.092439  -0.604013   2.421677  -0.604040
    17  H   -0.092434   0.009411  -0.604001  -0.604040   2.421685
 Mulliken charges:
               1
     1  C   -4.168435
     2  C    1.846037
     3  C    1.846102
     4  C    1.846191
     5  C    1.846120
     6  H   -0.268121
     7  H   -0.267895
     8  H   -0.267927
     9  H   -0.268062
    10  H   -0.268019
    11  H   -0.267920
    12  H   -0.267792
    13  H   -0.268058
    14  H   -0.268033
    15  H   -0.268232
    16  H   -0.267945
    17  H   -0.268010
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.168435
     2  C    1.042094
     3  C    1.042101
     4  C    1.042307
     5  C    1.041933
 Electronic spatial extent (au):  <R**2>=            485.3355
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.0645   YY=            -36.0644   ZZ=            -36.0644
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0001   ZZ=              0.0000
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3954  YYY=             -1.1041  ZZZ=             -0.8927  XYY=              1.7777
  XXY=              0.0190  XXZ=              1.4232  XZZ=             -1.3823  YZZ=              1.0848
  YYZ=             -0.5306  XYZ=              1.9053
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -237.8777 YYYY=           -237.1120 ZZZZ=           -237.3420 XXXY=              0.8302
 XXXZ=             -0.7573 YYYX=             -0.8917 YYYZ=              1.0307 ZZZX=              0.4048
 ZZZY=             -1.2681 XXYY=            -78.2883 XXZZ=            -78.0519 YYZZ=            -78.8013
 XXYZ=              0.2371 YYXZ=              0.3526 ZZXY=              0.0615
 N-N= 1.985720799793D+02 E-N=-8.537434273376D+02  KE= 1.963898533330D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:56:20 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290691D-06-2.40208724D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950019D-04 6.33541331D+01
                 3.32805357D-04-2.65587199D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0007   -0.0002       -0.0000    0.0001
 2      0.0007    0.0002       -0.0002    0.0002       -0.0006   -0.0003
 3      0.0000   -0.0001        0.0012    0.0001        0.0001   -0.0002
 4      0.0002   -0.0002        0.0000    0.0000        0.0001   -0.0001
 5     -0.0006    0.0002       -0.0001    0.0001       -0.0007   -0.0002
 6     -0.0001    0.0002        0.0007    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0005    0.0005        0.0002    0.0002
 2     -0.0005   -0.0005       -0.0000    0.0000        0.0002    0.0002
 3     -0.0005   -0.0005        0.0005    0.0005       -0.0000    0.0000
 4      0.0005    0.0005        0.0005    0.0005       -0.0010   -0.0010
 5     -0.0002   -0.0002        0.0003    0.0003       -0.0005   -0.0005
 6      0.0007    0.0007        0.0002    0.0002       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0353    0.0000        0.0123    0.0007       -0.0269   -0.0002
 2      0.0283   -0.0007        0.0381   -0.0006       -0.0064    0.0014
 3      0.0390    0.0002        0.0072   -0.0004       -0.0019    0.0006
 4     -0.0160    0.0006       -0.0005    0.0000       -0.0246    0.0002
 5     -0.0182   -0.0010       -0.0047   -0.0002       -0.0377    0.0007
 6      0.0047   -0.0006        0.0045   -0.0007       -0.0011    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0032    0.0000       -0.0030   -0.0004       -0.0126    0.0024
 2     -0.0313    0.0004        0.0117    0.0008       -0.0178   -0.0006
 3      0.0157   -0.0024       -0.0282    0.0007        0.0151   -0.0008
 4      0.0078   -0.0008        0.0075    0.0000        0.0032   -0.0024
 5      0.0588   -0.0002       -0.0231    0.0024        0.0233   -0.0004
 6     -0.0006    0.0008       -0.0033    0.0004        0.0280    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.8819    2.8582        0.9518    0.9676        1.8063    1.7623
 2      2.8732    2.8566        0.9545    0.9688        1.7930    1.7623
 3      2.8759    2.8566        0.9527    0.9676        1.8056    1.7630
 4     -0.0732   -0.0011       -0.0020    0.0016       -0.0079    0.0009
 5      0.0054    0.0007       -0.0523    0.0007       -0.0038   -0.0016
 6      0.0476   -0.0016       -0.0174   -0.0007       -0.0045    0.0011
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0379   -5.0113   -2.2651   -0.0006   -0.0005   -0.0004
 Low frequencies ---  160.7279  208.9196  229.5407
 Diagonal vibrational polarizability:
        0.7232470       0.7231538       0.7231710
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    160.7268               208.9194               229.5406
 Red. masses --      1.7162                 1.7869                 1.4859
 Frc consts  --      0.0261                 0.0460                 0.0461
 IR Inten    --      0.0000                 0.0001                 0.0002
 RamAct Fr= 1--      0.0000                 0.0016                 0.0295
  Dep-P Fr= 1--      0.6406                 0.7449                 0.7499
  Dep-U Fr= 1--      0.7810                 0.8538                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0002                 0.0042
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0001                -0.0002                -0.0003
 Delta2 Fr= 1--     -0.0002                 0.0004                -0.0002
 Raman1 Fr= 1--       0.000                  0.006                  0.118
 ROA1   Fr= 1--       0.002                 -0.005                 -0.034
 CID1   Fr= 1--      21.663                 -0.771                 -0.287
 Raman2 Fr= 1--       0.000                  0.003                  0.051
 ROA2   Fr= 1--       0.004                 -0.008                 -0.005
 CID2   Fr= 1--     117.372                 -2.834                 -0.095
 Raman3 Fr= 1--       0.000                  0.005                  0.101
 ROA3   Fr= 1--       0.002                 -0.005                 -0.034
 CID3   Fr= 1--      27.739                 -0.903                 -0.335
 RC180  Fr= 1--       0.562                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     2   6    -0.01   0.01   0.00    -0.02   0.05  -0.01    -0.00  -0.01  -0.00
     3   6    -0.00   0.00   0.01     0.02  -0.01  -0.01    -0.04   0.02   0.01
     4   6    -0.00   0.00   0.01    -0.02  -0.03   0.04     0.01   0.00   0.01
     5   6     0.01  -0.00   0.00     0.03  -0.02  -0.02     0.02  -0.02  -0.03
     6   1     0.01   0.21   0.10    -0.06  -0.04  -0.04    -0.04  -0.46  -0.23
     7   1    -0.15  -0.02  -0.19     0.07   0.08   0.04     0.32   0.05   0.41
     8   1     0.11  -0.18   0.08    -0.09   0.14  -0.04    -0.26   0.39  -0.17
     9   1     0.29  -0.15  -0.20     0.26  -0.14  -0.19     0.02  -0.00  -0.03
    10   1    -0.20   0.31  -0.13    -0.15   0.23  -0.14    -0.09   0.13   0.00
    11   1    -0.10  -0.15   0.35    -0.05  -0.13   0.28    -0.11  -0.04   0.09
    12   1    -0.17  -0.09   0.03     0.02   0.03   0.05     0.10   0.07  -0.00
    13   1     0.04   0.08  -0.16    -0.04  -0.05   0.11    -0.01  -0.05   0.10
    14   1     0.12   0.02   0.16    -0.05  -0.07  -0.01    -0.06  -0.00  -0.08
    15   1     0.26   0.15  -0.04    -0.35  -0.24   0.00     0.18   0.08  -0.09
    16   1    -0.02  -0.27  -0.12     0.09   0.37   0.18     0.02  -0.21  -0.09
    17   1    -0.21   0.11   0.16     0.36  -0.19  -0.26    -0.10   0.04   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.8816               298.5715               307.8296
 Red. masses --      1.0622                 2.6641                 2.2972
 Frc consts  --      0.0436                 0.1399                 0.1283
 IR Inten    --      0.0000                 0.0016                 0.0001
 RamAct Fr= 1--      0.0009                 0.9493                 0.9987
  Dep-P Fr= 1--      0.7130                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8325                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.1356                 0.1427
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0004                 0.0013                 0.0037
 Delta2 Fr= 1--     -0.0012                 0.0015                 0.0028
 Raman1 Fr= 1--       0.004                  3.797                  3.995
 ROA1   Fr= 1--      -0.002                  0.174                  0.447
 CID1   Fr= 1--      -0.657                  0.046                  0.112
 Raman2 Fr= 1--       0.002                  1.627                  1.712
 ROA2   Fr= 1--       0.018                  0.020                  0.067
 CID2   Fr= 1--      11.598                  0.012                  0.039
 Raman3 Fr= 1--       0.003                  3.254                  3.424
 ROA3   Fr= 1--      -0.002                  0.174                  0.447
 CID3   Fr= 1--      -0.789                  0.053                  0.131
 RC180  Fr= 1--       0.665                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.01   0.03  -0.02    -0.01   0.01   0.01
     2   6    -0.01  -0.00  -0.01     0.01   0.15   0.01    -0.11  -0.02  -0.13
     3   6    -0.00  -0.01   0.02     0.02  -0.09   0.13     0.09  -0.05  -0.06
     4   6     0.00   0.00  -0.00     0.09   0.09  -0.08     0.12   0.04   0.13
     5   6     0.01   0.01   0.00    -0.10  -0.12  -0.06    -0.10   0.03   0.06
     6   1    -0.02   0.10   0.04    -0.03   0.21   0.06    -0.29  -0.21  -0.16
     7   1    -0.09  -0.02  -0.12     0.11   0.24  -0.08    -0.07  -0.01  -0.06
     8   1     0.06  -0.09   0.01    -0.07   0.18   0.09    -0.12   0.14  -0.34
     9   1     0.02  -0.05  -0.01    -0.13  -0.29   0.10     0.16  -0.10  -0.11
    10   1    -0.01   0.03   0.02     0.13  -0.07   0.28     0.05  -0.17  -0.16
    11   1    -0.01  -0.03   0.07     0.08  -0.10   0.25     0.25   0.02  -0.02
    12   1     0.48   0.28  -0.06     0.14   0.06  -0.13     0.10   0.18   0.22
    13   1    -0.13  -0.22   0.49     0.16   0.07  -0.15     0.24  -0.09   0.14
    14   1    -0.34  -0.05  -0.44     0.07   0.23  -0.06     0.16   0.07   0.19
    15   1     0.07   0.05  -0.00    -0.21  -0.15  -0.16    -0.04   0.04   0.19
    16   1     0.01  -0.05  -0.02    -0.20  -0.15  -0.18    -0.22   0.04  -0.06
    17   1    -0.04   0.05   0.02    -0.08  -0.28   0.11    -0.22   0.08   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    363.9943               384.7022               396.6529
 Red. masses --      2.6350                 2.3557                 2.2593
 Frc consts  --      0.2057                 0.2054                 0.2094
 IR Inten    --      0.0432                 0.0433                 0.0496
 RamAct Fr= 1--      0.1410                 0.2672                 0.2300
  Dep-P Fr= 1--      0.6948                 0.7067                 0.7041
  Dep-U Fr= 1--      0.8199                 0.8281                 0.8264
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0002
 Beta2  Fr= 1--      0.0193                 0.0369                 0.0317
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0045                -0.0045                 0.0026
 Delta2 Fr= 1--     -0.0005                -0.0025                -0.0030
 Raman1 Fr= 1--       0.564                  1.069                  0.920
 ROA1   Fr= 1--      -0.446                 -0.509                  0.151
 CID1   Fr= 1--      -0.791                 -0.476                  0.164
 Raman2 Fr= 1--       0.231                  0.443                  0.380
 ROA2   Fr= 1--      -0.104                 -0.086                  0.086
 CID2   Fr= 1--      -0.451                 -0.195                  0.226
 Raman3 Fr= 1--       0.463                  0.885                  0.760
 ROA3   Fr= 1--      -0.446                 -0.509                  0.151
 CID3   Fr= 1--      -0.965                 -0.575                  0.198
 RC180  Fr= 1--       0.640                  0.656                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.11  -0.05     0.05   0.09  -0.10     0.10   0.04   0.09
     2   6     0.04   0.10  -0.07     0.14  -0.05  -0.07    -0.04  -0.02  -0.10
     3   6    -0.07   0.02   0.00     0.03   0.02   0.06     0.10   0.12   0.07
     4   6     0.06  -0.16  -0.02    -0.09  -0.05   0.12    -0.10  -0.01  -0.08
     5   6    -0.04   0.03   0.09    -0.08   0.05  -0.09     0.00  -0.11   0.08
     6   1    -0.09   0.16   0.01     0.29  -0.08  -0.14    -0.27  -0.18  -0.09
     7   1     0.23   0.26  -0.23     0.01  -0.17   0.06    -0.10  -0.06  -0.11
     8   1    -0.07   0.19  -0.02     0.22  -0.14  -0.07     0.05   0.07  -0.37
     9   1    -0.11   0.15   0.09    -0.12  -0.14   0.05     0.17   0.23   0.09
    10   1    -0.05   0.21   0.11     0.14   0.10   0.23     0.07   0.14   0.03
    11   1    -0.34  -0.09  -0.09     0.02  -0.01   0.16     0.06   0.11   0.01
    12   1     0.03  -0.14   0.00    -0.27   0.07   0.27    -0.09  -0.22  -0.20
    13   1     0.02  -0.15   0.01    -0.20  -0.04   0.25    -0.31   0.20  -0.08
    14   1     0.07  -0.23  -0.03    -0.00  -0.38   0.14    -0.16  -0.10  -0.17
    15   1     0.05  -0.00   0.41    -0.12   0.02  -0.06    -0.10  -0.14  -0.02
    16   1    -0.20   0.16  -0.04    -0.20   0.09  -0.23    -0.09  -0.14  -0.04
    17   1    -0.19   0.16   0.14    -0.11  -0.01   0.03     0.03  -0.26   0.24
                     10                     11                     12
                      A                      A                      A
 Frequencies --    689.4948               751.1866               768.7096
 Red. masses --      3.3460                 2.5690                 2.5216
 Frc consts  --      0.9372                 0.8541                 0.8779
 IR Inten    --      0.0056                 0.3001                 0.2901
 RamAct Fr= 1--     16.8464                 1.5359                 2.5647
  Dep-P Fr= 1--      0.0006                 0.7318                 0.3102
  Dep-U Fr= 1--      0.0012                 0.8451                 0.4735
 Alpha2 Fr= 1--      0.3738                 0.0005                 0.0255
 Beta2  Fr= 1--      0.0034                 0.2163                 0.2024
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0025                 0.0277                -0.0188
 Delta2 Fr= 1--     -0.0038                 0.0355                -0.0080
 Raman1 Fr= 1--      67.386                  6.144                 10.259
 ROA1   Fr= 1--      -0.360                  3.791                 -2.060
 CID1   Fr= 1--      -0.005                  0.617                 -0.201
 Raman2 Fr= 1--       0.041                  2.596                  2.429
 ROA2   Fr= 1--      -0.029                  0.379                 -0.387
 CID2   Fr= 1--      -0.697                  0.146                 -0.159
 Raman3 Fr= 1--       0.082                  5.192                  4.857
 ROA3   Fr= 1--      -0.360                  3.791                 -2.060
 CID3   Fr= 1--      -4.366                  0.730                 -0.424
 RC180  Fr= 1--      -0.998                  0.690                 -0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.00     0.01   0.02  -0.06    -0.06  -0.01  -0.02
     2   6     0.18   0.01  -0.14    -0.08   0.06   0.05     0.02  -0.06  -0.02
     3   6    -0.12  -0.06  -0.08     0.04   0.08  -0.14    -0.04   0.17   0.02
     4   6    -0.11   0.19   0.06     0.01  -0.01  -0.01     0.05  -0.11  -0.04
     5   6     0.04  -0.11   0.16     0.04  -0.11   0.02    -0.11  -0.01   0.03
     6   1     0.15   0.01  -0.13    -0.04  -0.06  -0.03    -0.05   0.02   0.05
     7   1     0.24   0.07  -0.21    -0.34  -0.15   0.26     0.25   0.13  -0.21
     8   1     0.19   0.04  -0.19     0.04  -0.01  -0.04    -0.09   0.03   0.04
     9   1    -0.21  -0.25  -0.14    -0.33  -0.30  -0.17    -0.10  -0.15  -0.12
    10   1    -0.12  -0.17  -0.11     0.32   0.26   0.27     0.05  -0.05   0.05
    11   1    -0.08  -0.07  -0.04     0.01  -0.01   0.11     0.43   0.34   0.30
    12   1    -0.15   0.18   0.07     0.04  -0.05  -0.05    -0.02  -0.11  -0.00
    13   1    -0.18   0.25   0.08     0.02   0.01  -0.05    -0.00  -0.08   0.00
    14   1    -0.10   0.13   0.04    -0.01   0.05  -0.02     0.08  -0.22  -0.04
    15   1     0.08  -0.10   0.20     0.19  -0.14   0.40     0.04   0.11  -0.09
    16   1     0.15  -0.17   0.28     0.05   0.04   0.08     0.21  -0.12   0.36
    17   1     0.06  -0.11   0.15    -0.05   0.06  -0.05    -0.04   0.11  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    781.1108               831.3875               876.6209
 Red. masses --      2.2918                 2.6466                 2.2219
 Frc consts  --      0.8239                 1.0778                 1.0060
 IR Inten    --      0.0041                 0.5515                 0.3079
 RamAct Fr= 1--      0.4190                 4.1293                 3.1427
  Dep-P Fr= 1--      0.7426                 0.7391                 0.6917
  Dep-U Fr= 1--      0.8523                 0.8500                 0.8177
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0032
 Beta2  Fr= 1--      0.0595                 0.5850                 0.4283
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0132                -0.0665                 0.1755
 Delta2 Fr= 1--     -0.0143                -0.1062                 0.2009
 Raman1 Fr= 1--       1.676                 16.517                 12.571
 ROA1   Fr= 1--      -1.724                 -9.786                 23.281
 CID1   Fr= 1--      -1.029                 -0.592                  1.852
 Raman2 Fr= 1--       0.714                  7.020                  5.140
 ROA2   Fr= 1--      -0.201                 -0.747                  2.605
 CID2   Fr= 1--      -0.282                 -0.106                  0.507
 Raman3 Fr= 1--       1.428                 14.039                 10.280
 ROA3   Fr= 1--      -1.724                 -9.786                 23.281
 CID3   Fr= 1--      -1.207                 -0.697                  2.265
 RC180  Fr= 1--       0.705                  0.700                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.06  -0.10  -0.05    -0.10  -0.00  -0.07
     2   6    -0.02   0.00  -0.02    -0.04  -0.13   0.01     0.05   0.13  -0.13
     3   6    -0.11   0.06   0.08     0.12   0.01   0.03     0.03  -0.02   0.10
     4   6     0.00   0.01   0.01    -0.11   0.14   0.04    -0.03  -0.05  -0.03
     5   6     0.11  -0.06  -0.08    -0.03  -0.08  -0.11    -0.06  -0.06   0.02
     6   1     0.18   0.09  -0.05    -0.04   0.04   0.10     0.43   0.11  -0.29
     7   1     0.03   0.00   0.08     0.32   0.15  -0.23    -0.19  -0.13   0.27
     8   1    -0.07  -0.07   0.17    -0.24  -0.05   0.20     0.13  -0.09   0.05
     9   1     0.06  -0.03  -0.04     0.18   0.22   0.12     0.24   0.26   0.16
    10   1    -0.24  -0.28  -0.20     0.20   0.22   0.19    -0.06  -0.00  -0.01
    11   1     0.29   0.25   0.15     0.01  -0.03  -0.01     0.06   0.03   0.01
    12   1     0.03  -0.15  -0.10    -0.09   0.24   0.08     0.05   0.14   0.04
    13   1    -0.12   0.14  -0.02     0.01   0.04   0.02     0.24  -0.28  -0.08
    14   1    -0.07  -0.00  -0.08    -0.09   0.24   0.09     0.01   0.16   0.08
    15   1     0.13  -0.19   0.40     0.18  -0.07   0.29     0.06  -0.04   0.16
    16   1    -0.20   0.21  -0.35     0.03   0.09   0.02     0.14  -0.11   0.25
    17   1    -0.06   0.03   0.06    -0.12   0.17  -0.27    -0.06   0.03  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    926.4878               982.1823              1027.8596
 Red. masses --      1.8146                 1.6958                 1.4752
 Frc consts  --      0.9177                 0.9639                 0.9183
 IR Inten    --      0.1607                 0.0410                 0.1025
 RamAct Fr= 1--      3.5946                 2.2868                 0.3799
  Dep-P Fr= 1--      0.7361                 0.6391                 0.7342
  Dep-U Fr= 1--      0.8480                 0.7798                 0.8468
 Alpha2 Fr= 1--      0.0009                 0.0046                 0.0001
 Beta2  Fr= 1--      0.5080                 0.2972                 0.0536
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1265                 0.0586                -0.0431
 Delta2 Fr= 1--     -0.1598                 0.0931                 0.0413
 Raman1 Fr= 1--      14.378                  9.147                  1.520
 ROA1   Fr= 1--     -17.261                  8.609                 -2.816
 CID1   Fr= 1--      -1.201                  0.941                 -1.853
 Raman2 Fr= 1--       6.097                  3.567                  0.643
 ROA2   Fr= 1--      -1.758                  0.662                 -1.365
 CID2   Fr= 1--      -0.288                  0.186                 -2.122
 Raman3 Fr= 1--      12.193                  7.133                  1.287
 ROA3   Fr= 1--     -17.261                  8.609                 -2.816
 CID3   Fr= 1--      -1.416                  1.207                 -2.188
 RC180  Fr= 1--       0.696                  0.560                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.08  -0.05   0.06    -0.02  -0.00  -0.02
     2   6    -0.11  -0.05  -0.02     0.04  -0.01  -0.06     0.08   0.01   0.11
     3   6     0.01   0.01  -0.01     0.01   0.04  -0.05    -0.03   0.01   0.02
     4   6    -0.00   0.01  -0.08    -0.09  -0.08   0.06    -0.07  -0.01  -0.09
     5   6     0.11   0.03   0.13     0.07   0.05   0.05     0.04  -0.01  -0.01
     6   1     0.20   0.17  -0.03     0.15   0.02  -0.08    -0.33  -0.24   0.13
     7   1     0.12   0.05   0.06     0.12   0.03  -0.06    -0.12  -0.02  -0.15
     8   1    -0.27  -0.14   0.36     0.05  -0.05  -0.01     0.17   0.21  -0.33
     9   1     0.01   0.01  -0.01    -0.10  -0.05  -0.05    -0.02   0.04   0.03
    10   1     0.03   0.08   0.04     0.09   0.12   0.09    -0.07  -0.03  -0.04
    11   1     0.06   0.04  -0.01     0.08   0.05   0.07     0.09   0.06   0.07
    12   1    -0.20   0.34   0.20     0.30  -0.12  -0.14    -0.11   0.43   0.19
    13   1     0.07  -0.19   0.10     0.28  -0.22  -0.23     0.27  -0.40   0.00
    14   1     0.17  -0.26   0.05    -0.21   0.61   0.11     0.13   0.02   0.16
    15   1    -0.16  -0.08  -0.03    -0.11  -0.00  -0.13     0.01  -0.06   0.08
    16   1    -0.04  -0.15  -0.09    -0.12   0.02  -0.19    -0.03   0.01  -0.09
    17   1     0.16  -0.21   0.36     0.07  -0.03   0.15     0.03  -0.02   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1078.0016              1078.3985              1085.2339
 Red. masses --      2.1926                 2.1895                 2.3184
 Frc consts  --      1.5012                 1.5002                 1.6087
 IR Inten    --      2.9218                 3.6871                 3.2841
 RamAct Fr= 1--      1.2357                 1.6766                 1.9880
  Dep-P Fr= 1--      0.6986                 0.7499                 0.6940
  Dep-U Fr= 1--      0.8226                 0.8571                 0.8194
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0019
 Beta2  Fr= 1--      0.1694                 0.2395                 0.2715
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0868                -0.0977                 0.0764
 Delta2 Fr= 1--      0.0828                -0.1131                -0.0516
 Raman1 Fr= 1--       4.943                  6.706                  7.952
 ROA1   Fr= 1--      10.980                -12.998                  5.685
 CID1   Fr= 1--       2.221                 -1.938                  0.715
 Raman2 Fr= 1--       2.033                  2.874                  3.258
 ROA2   Fr= 1--       1.420                 -1.440                  2.246
 CID2   Fr= 1--       0.699                 -0.501                  0.690
 Raman3 Fr= 1--       4.066                  5.748                  6.516
 ROA3   Fr= 1--      10.980                -12.998                  5.685
 CID3   Fr= 1--       2.700                 -2.261                  0.873
 RC180  Fr= 1--       0.645                  0.714                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.00    -0.01   0.01   0.01     0.01   0.01   0.01
     2   6     0.00  -0.01   0.01    -0.02  -0.01  -0.02    -0.02   0.00  -0.03
     3   6     0.05  -0.10   0.06     0.10  -0.02  -0.09     0.04   0.03   0.06
     4   6     0.01  -0.00   0.01     0.01   0.00  -0.00    -0.03  -0.00  -0.04
     5   6    -0.01   0.02  -0.03    -0.00  -0.02   0.01    -0.02  -0.15   0.08
     6   1    -0.03  -0.01   0.02     0.05   0.02  -0.02     0.08   0.05  -0.04
     7   1     0.02   0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.03
     8   1     0.01  -0.00  -0.01    -0.03  -0.03   0.06    -0.03  -0.05   0.07
     9   1    -0.30  -0.19   0.17    -0.49   0.35   0.36    -0.08  -0.20  -0.01
    10   1    -0.35   0.58  -0.20    -0.11  -0.04  -0.35    -0.09   0.07  -0.11
    11   1     0.33   0.18  -0.36     0.05  -0.23   0.53    -0.04   0.05  -0.17
    12   1     0.03  -0.08  -0.04    -0.01  -0.00   0.00    -0.05   0.16   0.07
    13   1    -0.03   0.05  -0.00    -0.03   0.03   0.01     0.09  -0.15   0.01
    14   1    -0.01   0.01  -0.01     0.01  -0.05  -0.02     0.04   0.01   0.05
    15   1    -0.08  -0.05   0.11     0.05   0.03  -0.03     0.42   0.22  -0.39
    16   1     0.06  -0.12  -0.00    -0.03   0.06   0.00    -0.24   0.57   0.07
    17   1    -0.00   0.02  -0.03     0.01  -0.02  -0.00    -0.03  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.0146              1193.4453              1229.0669
 Red. masses --      2.7196                 3.9136                 2.5988
 Frc consts  --      1.9353                 3.2842                 2.3130
 IR Inten    --      2.4901                 1.6063                 3.6819
 RamAct Fr= 1--      2.3995                12.3834                10.8252
  Dep-P Fr= 1--      0.0461                 0.7444                 0.7496
  Dep-U Fr= 1--      0.0882                 0.8535                 0.8569
 Alpha2 Fr= 1--      0.0478                 0.0012                 0.0001
 Beta2  Fr= 1--      0.0353                 1.7615                 1.5460
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0186                -0.5754                 0.6452
 Delta2 Fr= 1--      0.0341                -0.3932                 0.4818
 Raman1 Fr= 1--       9.598                 49.534                 43.301
 ROA1   Fr= 1--       2.876                -67.825                 77.355
 CID1   Fr= 1--       0.300                 -1.369                  1.786
 Raman2 Fr= 1--       0.423                 21.138                 18.552
 ROA2   Fr= 1--       0.173                -10.665                 11.630
 CID2   Fr= 1--       0.410                 -0.505                  0.627
 Raman3 Fr= 1--       0.846                 42.276                 37.105
 ROA3   Fr= 1--       2.876                -67.825                 77.355
 CID3   Fr= 1--       3.399                 -1.604                  2.085
 RC180  Fr= 1--      -0.824                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05  -0.02    -0.18   0.38   0.09     0.25   0.09  -0.15
     2   6     0.02   0.03   0.01    -0.03  -0.08   0.04    -0.06  -0.05   0.03
     3   6    -0.17  -0.17  -0.12    -0.01  -0.10  -0.04    -0.07  -0.04   0.00
     4   6     0.04   0.04   0.01     0.06  -0.12  -0.02    -0.10  -0.05   0.06
     5   6     0.02  -0.03   0.06     0.01  -0.06  -0.07    -0.08   0.02  -0.04
     6   1    -0.01  -0.05  -0.02     0.20  -0.06  -0.05    -0.20   0.08   0.17
     7   1    -0.08  -0.03   0.01     0.25   0.16  -0.24     0.01  -0.01   0.06
     8   1     0.08   0.05  -0.09     0.10  -0.04  -0.18    -0.16  -0.02   0.15
     9   1     0.18   0.40   0.02     0.12   0.12   0.01     0.03   0.08   0.01
    10   1     0.07   0.29   0.36     0.07   0.05   0.12    -0.09  -0.07  -0.03
    11   1     0.48   0.09   0.14    -0.10  -0.14  -0.09     0.09   0.03   0.05
    12   1    -0.08  -0.04   0.01     0.13  -0.20  -0.10     0.27   0.02  -0.08
    13   1    -0.18   0.21   0.07     0.13  -0.16  -0.07     0.18  -0.09  -0.23
    14   1     0.00  -0.10  -0.07     0.06  -0.15  -0.04    -0.15   0.41   0.11
    15   1     0.10   0.09  -0.20     0.20  -0.04   0.24     0.11   0.10   0.05
    16   1    -0.11   0.19  -0.01     0.06   0.14   0.06     0.14   0.01   0.21
    17   1     0.03  -0.05   0.07    -0.02  -0.29   0.31     0.08  -0.38   0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1239.4154              1313.5962              1324.8086
 Red. masses --      2.5138                 1.5260                 1.2712
 Frc consts  --      2.2752                 1.5514                 1.3145
 IR Inten    --      8.6673                 5.4904                 7.8374
 RamAct Fr= 1--     11.5489                 3.1411                 1.8462
  Dep-P Fr= 1--      0.7499                 0.7470                 0.7145
  Dep-U Fr= 1--      0.8571                 0.8552                 0.8335
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0011
 Beta2  Fr= 1--      1.6498                 0.4477                 0.2565
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0003
 Gamma2 Fr= 1--     -0.0652                -0.4933                 0.4239
 Delta2 Fr= 1--     -0.0671                -0.5298                 0.3295
 Raman1 Fr= 1--      46.196                 12.564                  7.385
 ROA1   Fr= 1--      -8.409                -64.313                 51.240
 CID1   Fr= 1--      -0.182                 -5.119                  6.939
 Raman2 Fr= 1--      19.797                  5.372                  3.078
 ROA2   Fr= 1--      -1.028                 -7.602                  7.538
 CID2   Fr= 1--      -0.052                 -1.415                  2.449
 Raman3 Fr= 1--      39.594                 10.745                  6.155
 ROA3   Fr= 1--      -8.409                -64.313                 51.240
 CID3   Fr= 1--      -0.212                 -5.985                  8.325
 RC180  Fr= 1--       0.714                  0.710                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.01   0.25     0.06   0.04  -0.08     0.01  -0.03   0.03
     2   6    -0.06   0.00  -0.11    -0.11   0.00   0.07    -0.02   0.01   0.02
     3   6    -0.05  -0.03  -0.06    -0.01  -0.01   0.01    -0.00   0.01  -0.00
     4   6    -0.04   0.01  -0.09    -0.02  -0.01   0.02    -0.00   0.01  -0.01
     5   6    -0.04   0.02  -0.10     0.02  -0.04   0.08    -0.07   0.04   0.01
     6   1    -0.10   0.39   0.15     0.20  -0.09  -0.11     0.25  -0.14  -0.18
     7   1     0.24   0.04   0.32     0.17   0.19   0.01    -0.04   0.04  -0.09
     8   1     0.29  -0.38  -0.04     0.49  -0.32  -0.36    -0.00   0.01  -0.01
     9   1    -0.05  -0.02  -0.06     0.03   0.03   0.02    -0.01  -0.02  -0.02
    10   1     0.02   0.05   0.08    -0.03  -0.04  -0.02     0.01   0.01   0.01
    11   1     0.07   0.01   0.02     0.00  -0.00   0.01     0.00   0.01  -0.00
    12   1    -0.11   0.30   0.12     0.08   0.00  -0.02    -0.01  -0.01  -0.01
    13   1     0.10  -0.26   0.10     0.04   0.01  -0.09     0.00  -0.04   0.05
    14   1     0.17  -0.07   0.15    -0.03   0.03  -0.00     0.03  -0.03   0.02
    15   1    -0.00  -0.00   0.09    -0.08  -0.05  -0.07     0.20   0.15   0.15
    16   1     0.06  -0.01  -0.00    -0.08  -0.09  -0.05    -0.12  -0.13  -0.12
    17   1    -0.06   0.03  -0.08    -0.02   0.38  -0.41     0.64  -0.44  -0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.5321              1345.0993              1412.0616
 Red. masses --      1.4232                 1.4444                 1.2310
 Frc consts  --      1.4778                 1.5398                 1.4462
 IR Inten    --      0.9980                 1.6623                 3.9979
 RamAct Fr= 1--      5.2144                 6.3828                 0.2035
  Dep-P Fr= 1--      0.6863                 0.7199                 0.2348
  Dep-U Fr= 1--      0.8139                 0.8372                 0.3803
 Alpha2 Fr= 1--      0.0058                 0.0033                 0.0025
 Beta2  Fr= 1--      0.7074                 0.8906                 0.0129
 AlphaG Fr= 1--      0.0001                 0.0002                -0.0000
 Gamma2 Fr= 1--      0.7977                -0.8420                -0.0056
 Delta2 Fr= 1--      0.5494                -0.4063                -0.0046
 Raman1 Fr= 1--      20.858                 25.531                  0.814
 ROA1   Fr= 1--      94.162                -93.829                 -0.682
 CID1   Fr= 1--       4.515                 -3.675                 -0.838
 Raman2 Fr= 1--       8.488                 10.687                  0.155
 ROA2   Fr= 1--      14.750                -16.957                 -0.097
 CID2   Fr= 1--       1.738                 -1.587                 -0.629
 Raman3 Fr= 1--      16.977                 21.373                  0.310
 ROA3   Fr= 1--      94.162                -93.829                 -0.682
 CID3   Fr= 1--       5.546                 -4.390                 -2.204
 RC180  Fr= 1--       0.628                  0.674                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.08   0.05    -0.10  -0.09  -0.08    -0.01   0.01   0.00
     2   6    -0.06   0.04   0.06    -0.01   0.02   0.01    -0.01   0.00   0.01
     3   6    -0.00   0.01  -0.00     0.03   0.03   0.02     0.00   0.00   0.00
     4   6    -0.01   0.03  -0.01     0.03   0.03   0.03     0.07  -0.12  -0.04
     5   6    -0.00   0.02  -0.08    -0.00   0.04  -0.03    -0.00   0.00  -0.01
     6   1     0.51  -0.37  -0.39    -0.27   0.11   0.16     0.02  -0.04  -0.02
     7   1    -0.06   0.12  -0.20     0.16   0.06   0.18     0.02   0.02  -0.01
     8   1     0.08  -0.07  -0.03     0.47  -0.28  -0.30     0.04  -0.04  -0.01
     9   1    -0.04  -0.04  -0.01    -0.00  -0.02   0.02    -0.00  -0.01   0.00
    10   1    -0.00   0.01  -0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    11   1     0.02   0.02   0.01    -0.03   0.02   0.00    -0.02  -0.00  -0.01
    12   1    -0.01   0.04   0.00    -0.08  -0.12  -0.01    -0.20   0.40   0.36
    13   1     0.00  -0.03   0.04    -0.01   0.07  -0.00    -0.44   0.36   0.04
    14   1     0.05  -0.05   0.04    -0.08  -0.07  -0.12    -0.10   0.56  -0.01
    15   1    -0.05  -0.01  -0.02     0.08   0.07   0.03     0.01   0.01   0.02
    16   1     0.15   0.09   0.13     0.04   0.07   0.04     0.01  -0.00   0.00
    17   1    -0.28  -0.09   0.45     0.11  -0.41   0.39     0.02  -0.04   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.7595              1498.7003              1499.0631
 Red. masses --      1.0818                 1.0532                 1.0546
 Frc consts  --      1.3881                 1.3938                 1.3964
 IR Inten    --      4.2350                 5.6355                 5.7630
 RamAct Fr= 1--      1.7191                 4.2715                 4.1338
  Dep-P Fr= 1--      0.7490                 0.7500                 0.7497
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2454                 0.6102                 0.5904
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0146                 0.0771                -0.0317
 Delta2 Fr= 1--      0.0134                 0.0202                -0.0260
 Raman1 Fr= 1--       6.877                 17.086                 16.535
 ROA1   Fr= 1--       1.825                  8.049                 -3.874
 CID1   Fr= 1--       0.265                  0.471                 -0.234
 Raman2 Fr= 1--       2.945                  7.322                  7.085
 ROA2   Fr= 1--       0.242                  1.689                 -0.552
 CID2   Fr= 1--       0.082                  0.231                 -0.078
 Raman3 Fr= 1--       5.890                 14.645                 14.170
 ROA3   Fr= 1--       1.825                  8.049                 -3.874
 CID3   Fr= 1--       0.310                  0.550                 -0.273
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.00   0.01  -0.03    -0.03  -0.02  -0.01
     2   6    -0.03  -0.06   0.03     0.00   0.00   0.00     0.00  -0.01   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.01  -0.01     0.00   0.01  -0.05    -0.04  -0.02  -0.01
     5   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.00
     6   1     0.42   0.53   0.14    -0.08  -0.06   0.00     0.03   0.09   0.03
     7   1    -0.03  -0.06   0.03     0.02   0.01   0.00     0.00  -0.01   0.02
     8   1    -0.10   0.44  -0.52     0.04  -0.07   0.04     0.01   0.05  -0.10
     9   1    -0.01  -0.01   0.01     0.01   0.01   0.00     0.00  -0.01   0.00
    10   1    -0.01  -0.00  -0.01     0.00  -0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00   0.01    -0.01   0.00  -0.00
    12   1    -0.10  -0.07   0.00    -0.01  -0.35  -0.23     0.61   0.27  -0.13
    13   1    -0.01  -0.06   0.10    -0.25  -0.20   0.60    -0.26   0.31  -0.14
    14   1    -0.02   0.09  -0.01     0.27   0.32   0.39     0.35  -0.22   0.39
    15   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.01   0.01  -0.00
    16   1     0.01   0.01   0.01    -0.00   0.00   0.01    -0.00   0.01  -0.00
    17   1    -0.02  -0.02   0.04    -0.01   0.01   0.01     0.01  -0.04   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2170.0065              2206.9115              2244.6889
 Red. masses --      2.1314                 2.1898                 2.2674
 Frc consts  --      5.9133                 6.2839                 6.7313
 IR Inten    --     13.8798                14.6566                14.6600
 RamAct Fr= 1--     70.9055                72.8588                62.0467
  Dep-P Fr= 1--      0.0005                 0.0616                 0.1799
  Dep-U Fr= 1--      0.0009                 0.1160                 0.3050
 Alpha2 Fr= 1--      1.5740                 1.4000                 0.8882
 Beta2  Fr= 1--      0.0106                 1.4085                 3.1537
 AlphaG Fr= 1--      0.0001                -0.0003                -0.0003
 Gamma2 Fr= 1--     -0.0071                -0.3670                 0.6905
 Delta2 Fr= 1--     -0.0067                -0.3366                 0.6341
 Raman1 Fr= 1--     283.622                291.435                248.187
 ROA1   Fr= 1--      -0.892                -45.997                 86.583
 CID1   Fr= 1--      -0.003                 -0.158                  0.349
 Raman2 Fr= 1--       0.128                 16.902                 37.844
 ROA2   Fr= 1--      -0.117                 -6.114                 11.501
 CID2   Fr= 1--      -0.914                 -0.362                  0.304
 Raman3 Fr= 1--       0.255                 33.804                 75.688
 ROA3   Fr= 1--      -0.892                -45.997                 86.583
 CID3   Fr= 1--      -3.498                 -1.361                  1.144
 RC180  Fr= 1--      -0.998                 -0.768                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.02  -0.12   0.05    -0.00  -0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.02  -0.01   0.03     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.02   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.02  -0.03  -0.01    -0.33   0.59   0.17    -0.01   0.02   0.00
    16   1    -0.03  -0.01   0.02     0.52   0.15  -0.44     0.03   0.01  -0.03
    17   1     0.00   0.01  -0.00    -0.07  -0.06  -0.05    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2282.9695              2284.5432              2286.1115
 Red. masses --      2.3778                 2.3767                 2.3749
 Frc consts  --      7.3016                 7.3085                 7.3129
 IR Inten    --      0.0024                16.3845                33.7940
 RamAct Fr= 1--      6.6252                39.1804                72.1824
  Dep-P Fr= 1--      0.7500                 0.7489                 0.7493
  Dep-U Fr= 1--      0.8571                 0.8564                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0009
 Beta2  Fr= 1--      0.9465                 5.5925                10.3059
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0860                -0.2821                -0.1222
 Delta2 Fr= 1--      0.0930                -0.2652                -0.1266
 Raman1 Fr= 1--      26.501                156.722                288.730
 ROA1   Fr= 1--      11.232                -35.566                -15.785
 CID1   Fr= 1--       0.424                 -0.227                 -0.055
 Raman2 Fr= 1--      11.357                 67.110                123.671
 ROA2   Fr= 1--       1.320                 -4.649                 -1.921
 CID2   Fr= 1--       0.116                 -0.069                 -0.016
 Raman3 Fr= 1--      22.715                134.220                247.342
 ROA3   Fr= 1--      11.232                -35.566                -15.785
 CID3   Fr= 1--       0.494                 -0.265                 -0.064
 RC180  Fr= 1--       0.714                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.10  -0.05  -0.07    -0.03   0.13  -0.14     0.10  -0.05  -0.07
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.10   0.05   0.07     0.00   0.00   0.00     0.10  -0.05  -0.07
     6   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.01
     8   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00   0.00  -0.01     0.29  -0.34   0.66    -0.00   0.00  -0.01
    10   1    -0.37  -0.11   0.30    -0.31  -0.09   0.25    -0.37  -0.11   0.29
    11   1    -0.23   0.42   0.13     0.18  -0.33  -0.11    -0.22   0.42   0.13
    12   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    15   1     0.23  -0.41  -0.12     0.00  -0.00  -0.00    -0.23   0.42   0.12
    16   1     0.36   0.11  -0.31    -0.00  -0.00   0.01    -0.37  -0.11   0.31
    17   1    -0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1647              3044.2291              3064.2489
 Red. masses --      1.0345                 1.0603                 1.0829
 Frc consts  --      5.5634                 5.7895                 5.9910
 IR Inten    --     27.2727                29.0930                25.1897
 RamAct Fr= 1--    137.1953               136.6759               117.0140
  Dep-P Fr= 1--      0.0011                 0.0715                 0.1720
  Dep-U Fr= 1--      0.0021                 0.1335                 0.2936
 Alpha2 Fr= 1--      3.0412                 2.5644                 1.7097
 Beta2  Fr= 1--      0.0489                 3.0400                 5.7254
 AlphaG Fr= 1--     -0.0001                 0.0005                 0.0003
 Gamma2 Fr= 1--      0.0656                -2.2439                 4.0277
 Delta2 Fr= 1--      0.0604                -2.0433                 3.6640
 Raman1 Fr= 1--     548.781                546.704                468.056
 ROA1   Fr= 1--       8.233               -280.800                503.903
 CID1   Fr= 1--       0.015                 -0.514                  1.077
 Raman2 Fr= 1--       0.587                 36.480                 68.705
 ROA2   Fr= 1--       1.093                -37.507                 67.352
 CID2   Fr= 1--       1.862                 -1.028                  0.980
 Raman3 Fr= 1--       1.174                 72.959                137.409
 ROA3   Fr= 1--       8.233               -280.800                503.903
 CID3   Fr= 1--       7.015                 -3.849                  3.667
 RC180  Fr= 1--      -0.996                 -0.733                 -0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.05  -0.05  -0.04
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58    -0.04   0.06  -0.10
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
     8   1     0.05   0.04   0.03    -0.46  -0.42  -0.32     0.02   0.02   0.01
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04    -0.02   0.02  -0.04
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.04  -0.03  -0.03
    14   1     0.43   0.12  -0.35     0.06   0.01  -0.05    -0.07  -0.02   0.06
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    17   1     0.02   0.02   0.02     0.07   0.07   0.05     0.63   0.59   0.46
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7842              3083.7833              3086.5156
 Red. masses --      1.1024                 1.1015                 1.1011
 Frc consts  --      6.1648                 6.1719                 6.1804
 IR Inten    --      0.0055                37.1094                76.3116
 RamAct Fr= 1--     12.6643                75.5678               136.7474
  Dep-P Fr= 1--      0.7499                 0.7393                 0.7428
  Dep-U Fr= 1--      0.8571                 0.8501                 0.8524
 Alpha2 Fr= 1--      0.0000                 0.0138                 0.0167
 Beta2  Fr= 1--      1.8091                10.7066                19.4282
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.1468                -0.1752                -1.8324
 Delta2 Fr= 1--      0.1297                -0.1527                -1.6547
 Raman1 Fr= 1--      50.657                302.271                546.990
 ROA1   Fr= 1--      18.242                -21.701               -228.864
 CID1   Fr= 1--       0.360                 -0.072                 -0.418
 Raman2 Fr= 1--      21.709                128.479                233.138
 ROA2   Fr= 1--       2.485                 -2.983                -30.740
 CID2   Fr= 1--       0.114                 -0.023                 -0.132
 Raman3 Fr= 1--      43.418                256.958                466.276
 ROA3   Fr= 1--      18.242                -21.701               -228.864
 CID3   Fr= 1--       0.420                 -0.084                 -0.491
 RC180  Fr= 1--       0.714                  0.700                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05     0.00  -0.00   0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.06    -0.04  -0.01  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     6   1     0.17  -0.23   0.41    -0.02   0.02  -0.04     0.16  -0.22   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21    -0.00  -0.01  -0.00     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.18   0.23  -0.41    -0.18   0.19  -0.35     0.16  -0.22   0.38
    13   1    -0.32  -0.32  -0.22     0.23   0.23   0.19     0.32   0.33   0.23
    14   1     0.01   0.00   0.01     0.61   0.15  -0.50     0.02   0.01  -0.04
    15   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    16   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.04   0.04   0.03     0.07   0.06   0.05

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   465.12813 472.15443 479.04735
           X            0.69946  -0.40291  -0.59027
           Y            0.27286  -0.61281   0.74163
           Z            0.66053   0.67980   0.31870
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.18622     0.18344     0.18080
 Rotational constants (GHZ):           3.88009     3.82235     3.76735
 Zero-point vibrational energy     366685.4 (Joules/Mol)
                                   87.63992 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    231.25   300.59   330.26   379.67   429.58
          (Kelvin)            442.90   523.71   553.50   570.70   992.03
                             1080.79  1106.00  1123.84  1196.18  1261.26
                             1333.01  1413.14  1478.86  1551.00  1551.57
                             1561.41  1581.24  1717.10  1768.35  1783.24
                             1889.97  1906.10  1910.02  1935.30  2031.64
                             2123.29  2156.30  2156.82  3122.16  3175.25
                             3229.61  3284.68  3286.95  3289.20  4346.78
                             4379.97  4408.77  4432.56  4436.88  4440.81
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147315
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724542
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.358
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.156
 Vibrational             90.664             23.078             16.219
 Vibration     1          0.622              1.891              2.541
 Vibration     2          0.642              1.827              2.053
 Vibration     3          0.652              1.796              1.883
 Vibration     4          0.670              1.739              1.636
 Vibration     5          0.692              1.676              1.425
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.754              1.503              1.021
 Vibration     9          0.763              1.477              0.975
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385467D-50        -50.414013       -116.082555
 Total V=0       0.670648D+14         13.826494         31.836680
 Vib (Bot)       0.122301D-62        -62.912570       -144.861546
 Vib (Bot)    1  0.125754D+01          0.099521          0.229156
 Vib (Bot)    2  0.951093D+00         -0.021777         -0.050143
 Vib (Bot)    3  0.858226D+00         -0.066398         -0.152888
 Vib (Bot)    4  0.734642D+00         -0.133924         -0.308372
 Vib (Bot)    5  0.637466D+00         -0.195543         -0.450254
 Vib (Bot)    6  0.615049D+00         -0.211091         -0.486054
 Vib (Bot)    7  0.502209D+00         -0.299116         -0.688739
 Vib (Bot)    8  0.468437D+00         -0.329349         -0.758354
 Vib (Bot)    9  0.450448D+00         -0.346355         -0.797512
 Vib (V=0)       0.212783D+02          1.327938          3.057689
 Vib (V=0)    1  0.185329D+01          0.267944          0.616964
 Vib (V=0)    2  0.157451D+01          0.197146          0.453946
 Vib (V=0)    3  0.149325D+01          0.174133          0.400957
 Vib (V=0)    4  0.138865D+01          0.142593          0.328332
 Vib (V=0)    5  0.131016D+01          0.117325          0.270151
 Vib (V=0)    6  0.129264D+01          0.111479          0.256690
 Vib (V=0)    7  0.120867D+01          0.082308          0.189521
 Vib (V=0)    8  0.118515D+01          0.073774          0.169871
 Vib (V=0)    9  0.117298D+01          0.069291          0.159549
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116108D+06          5.064863         11.662278
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111 1                                          
   000000                            2222 21                          444 43333  221 0000 0 9 9 8 8 777 6           33332 222 1      
   888642                            8884 07                          997 14221  329 9877 2 8 2 7 3 865 8           98609 630 6      
   741441                            6535 70                          996 25854  993 9588 8 2 6 7 1 191 9           75489 409 1      
 
   XX XXX                            XX X XX                          XXX XXXXX  XXX XXXX X   X X X  XX                              
   XX XXX                            XX X XX                          X      X   X                                                   
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  X                             X                                                                                               
   XX                                X                                                                                               
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.106337D-03  0.340185D-03
      2   0.106337D-03  0.679356D+02 -0.298370D-03
      3   0.340185D-03 -0.298370D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359369D-03 -0.120539D-02 -0.143518D-02
      2  -0.119719D-02 -0.762062D-04 -0.512768D-03
      3   0.100980D-02  0.132700D-02  0.100112D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353164D+00  0.177691D-01  0.127565D+01
      2   0.161888D+01 -0.993499D+00 -0.464835D+00
      3  -0.126572D+01  0.975730D+00 -0.810812D+00
      4   0.158684D-01  0.161883D+01  0.171697D+01
      5   0.127623D+01  0.171700D+01 -0.126415D+01
      6   0.171739D+01 -0.463580D+00  0.972692D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122523D+01  0.761331D-01  0.451718D+01  0.781530D-01  0.572105D+01
      2   0.761331D-01  0.571069D+01  0.608168D+01  0.572105D+01 -0.351140D+01
      3   0.451718D+01  0.608168D+01 -0.447919D+01  0.607973D+01 -0.165770D+01
                 6             7             8             9            10 
      1   0.607973D+01  0.451140D+01  0.608193D+01 -0.447934D+01 -0.777458D+00
      2  -0.165770D+01  0.608193D+01 -0.166276D+01  0.343555D+01 -0.562198D-01
      3   0.343889D+01 -0.447934D+01  0.343555D+01 -0.284490D+01 -0.294601D+01
                11            12            13            14            15 
      1  -0.562198D-01 -0.294601D+01  0.324268D+00 -0.511652D+01 -0.433174D+01
      2  -0.373511D+01 -0.433149D+01 -0.511652D+01  0.148161D+01  0.220890D+01
      3  -0.433149D+01  0.384004D+01 -0.433174D+01  0.220890D+01 -0.200628D+01
                16            17            18            19            20 
      1  -0.408460D+01 -0.433400D+01  0.246322D+01  0.250017D+01  0.293898D+00
      2  -0.433400D+01  0.107085D+01 -0.239435D+01  0.293898D+00 -0.450701D+01
      3   0.246322D+01 -0.239435D+01  0.356235D+01 -0.271734D+01 -0.460211D+01
                21            22            23            24            25 
      1  -0.271734D+01 -0.836004D+00 -0.333280D+01 -0.460232D+01 -0.353970D+01
      2  -0.460211D+01 -0.333280D+01  0.400020D+01  0.138807D+01 -0.460020D+01
      3   0.257674D+01 -0.460232D+01  0.138807D+01 -0.261031D+01  0.375166D+01
                26            27            28            29            30 
      1  -0.460020D+01  0.375166D+01  0.235123D+01 -0.106180D+01 -0.326900D+01
      2   0.560304D+00 -0.148236D+01 -0.106180D+01 -0.483661D+01 -0.433708D+01
      3  -0.148236D+01  0.338534D+01 -0.326900D+01 -0.433708D+01  0.289949D+01
                31            32            33            34            35 
      1   0.486134D+00 -0.397916D+01 -0.433790D+01 -0.280795D+01 -0.433973D+01
      2  -0.397916D+01  0.942412D+00  0.120343D+01 -0.433973D+01  0.166920D+01
      3  -0.433790D+01  0.120343D+01 -0.217879D+01  0.376174D+01 -0.372631D+01
                36            37            38            39            40 
      1   0.376174D+01 -0.481059D+00  0.618093D+00 -0.420936D+01 -0.185445D+00
      2  -0.372631D+01  0.618093D+00 -0.356093D+01 -0.444137D+01 -0.422549D+01
      3   0.910866D+00 -0.420936D+01 -0.444137D+01  0.372326D+01 -0.444252D+01
                41            42            43            44            45 
      1  -0.422549D+01 -0.444252D+01 -0.270266D+01 -0.444323D+01  0.306159D+01
      2   0.378287D+01  0.205948D-01 -0.444323D+01  0.152983D+01 -0.240735D+01
      3   0.205948D-01 -0.321723D+01  0.306159D+01 -0.240735D+01  0.442943D+00
                46            47            48            49            50 
      1  -0.653443D+00  0.456176D+00 -0.661078D+00  0.687345D+00  0.302634D+00
      2   0.456176D+00 -0.552769D+00  0.111311D+01  0.302634D+00  0.187773D+01
      3  -0.661078D+00  0.111311D+01 -0.240208D+01  0.379717D+00 -0.218079D+01
                51            52            53            54            55 
      1   0.379717D+00 -0.101276D+01  0.426022D+00 -0.354667D+00  0.330141D+01
      2  -0.218079D+01  0.426022D+00 -0.206174D+01  0.263788D+01 -0.184304D+01
      3   0.286113D+01 -0.354667D+00  0.263788D+01 -0.730248D+01 -0.107097D+01
                56            57            58            59            60 
      1  -0.184304D+01 -0.107097D+01 -0.336497D+01  0.299304D+01  0.186405D+01
      2   0.216180D+01  0.106818D+01  0.299304D+01 -0.457189D+01 -0.183615D+01
      3   0.106818D+01  0.839103D+00  0.186405D+01 -0.183615D+01 -0.194104D+01
                61            62            63            64            65 
      1  -0.673690D+00  0.984972D+00  0.956483D+00  0.510291D+01  0.248280D+01
      2   0.984972D+00 -0.112449D+01 -0.906691D+00  0.248280D+01  0.245689D+01
      3   0.956483D+00 -0.906691D+00 -0.177356D+01  0.842563D+00  0.753614D+00
                66            67            68            69            70 
      1   0.842563D+00  0.315994D+01  0.297087D+01  0.691841D+00  0.261487D+01
      2   0.753614D+00  0.297087D+01  0.318962D+01  0.364536D+00  0.152317D+01
      3   0.799023D+00  0.691841D+00  0.364536D+00  0.120362D+01  0.832071D+00
                71            72            73            74            75 
      1   0.152317D+01  0.832071D+00 -0.237408D+01  0.291324D+00 -0.168614D+01
      2   0.135365D+01  0.100742D+01  0.291324D+00 -0.254611D+00  0.677427D+00
      3   0.100742D+01  0.843928D+00 -0.168614D+01  0.677427D+00 -0.225712D+01
                76            77            78            79            80 
      1   0.139822D+01 -0.368756D+00  0.148335D+01 -0.219323D+01  0.605887D+00
      2  -0.368756D+00  0.764290D+00 -0.122784D+01  0.605887D+00 -0.141735D+01
      3   0.148335D+01 -0.122784D+01  0.249951D+01 -0.305226D+01  0.895066D+00
                81            82            83            84            85 
      1  -0.305226D+01 -0.628913D+01 -0.199996D+01  0.196988D+01 -0.117776D+01
      2   0.895066D+00 -0.199996D+01 -0.135656D+01  0.881804D+00 -0.109328D+01
      3  -0.661476D+01  0.196988D+01  0.881804D+00 -0.192238D+01  0.803579D+00
                86            87            88            89            90 
      1  -0.109328D+01  0.803579D+00  0.371480D+01  0.163748D+01 -0.217301D+01
      2  -0.159205D+01  0.460371D+00  0.163748D+01  0.140827D+01 -0.678168D+00
      3   0.460371D+00 -0.311542D+00 -0.217301D+01 -0.678168D+00  0.188331D+01
                91            92            93            94            95 
      1   0.992107D+00 -0.127496D+01 -0.246308D+00 -0.140388D+01  0.118521D+01
      2  -0.127496D+01  0.321205D+01  0.129589D+01  0.118521D+01 -0.766795D+01
      3  -0.246308D+00  0.129589D+01  0.810455D+00  0.570687D+00 -0.225320D+01
                96            97            98            99           100 
      1   0.570687D+00 -0.166292D+00  0.612657D+00 -0.203953D-01 -0.209909D+01
      2  -0.225320D+01  0.612657D+00 -0.168920D+01 -0.139956D+01  0.148240D+01
      3  -0.156902D+01 -0.203953D-01 -0.139956D+01 -0.156020D+01 -0.994489D+00
               101           102           103           104           105 
      1   0.148240D+01 -0.994489D+00  0.109036D+01 -0.104302D+01  0.108803D+01
      2  -0.107980D+01  0.116039D+01 -0.104302D+01  0.308332D+01 -0.177361D+01
      3   0.116039D+01 -0.155555D+01  0.108803D+01 -0.177361D+01  0.183222D+01
               106           107           108           109           110 
      1  -0.191210D+01  0.192007D+01 -0.202785D+01  0.206880D+01  0.187388D+01
      2   0.192007D+01 -0.347877D+01  0.271677D+01  0.187388D+01  0.377655D+01
      3  -0.202785D+01  0.271677D+01 -0.418660D+01  0.133772D+01  0.174980D+01
               111           112           113           114           115 
      1   0.133772D+01  0.144396D+01  0.178855D+01  0.101611D+01  0.127207D+01
      2   0.174980D+01  0.178855D+01  0.494171D+01  0.184057D+01  0.107230D+01
      3   0.138839D+01  0.101611D+01  0.184057D+01  0.174903D+01  0.582593D+00
               116           117           118           119           120 
      1   0.107230D+01  0.582593D+00 -0.565672D+01  0.655022D+00  0.308875D+01
      2   0.227670D+01  0.217688D+01  0.655022D+00 -0.911575D+00  0.236178D-01
      3   0.217688D+01  0.207091D+01  0.308875D+01  0.236178D-01 -0.283102D+01
               121           122           123           124           125 
      1  -0.987748D+00 -0.333254D+00  0.830798D+00  0.333569D+01 -0.556566D-01
      2  -0.333254D+00 -0.259383D+00  0.419086D+00 -0.556566D-01  0.946814D+00
      3   0.830798D+00  0.419086D+00 -0.488509D+00 -0.292886D+01  0.669631D+00
               126           127           128           129           130 
      1  -0.292886D+01  0.249014D+01 -0.223684D+01  0.527125D+00 -0.240745D+01
      2   0.669631D+00 -0.223684D+01  0.295843D+01  0.157529D+00  0.314115D+01
      3   0.337932D+01  0.527125D+00  0.157529D+00  0.488515D+00  0.899645D-01
               131           132           133           134           135 
      1   0.314115D+01  0.899645D-01 -0.491871D+00  0.927010D+00  0.186703D+00
      2  -0.691358D+01  0.419481D+00  0.927010D+00 -0.140084D+01 -0.539137D+00
      3   0.419481D+00 -0.115771D+01  0.186703D+00 -0.539137D+00 -0.367863D+00
               136           137           138           139           140 
      1  -0.319822D+01 -0.102129D+01  0.277590D+01 -0.654178D+00 -0.426873D+00
      2  -0.102129D+01 -0.120851D+01  0.160082D+01 -0.426873D+00 -0.138450D+01
      3   0.277590D+01  0.160082D+01 -0.423655D+01  0.871206D+00  0.120892D+01
               141           142           143           144           145 
      1   0.871206D+00  0.212670D+01  0.923251D+00 -0.226703D+01  0.394766D+01
      2   0.120892D+01  0.923251D+00  0.107513D+01 -0.121028D+01  0.126437D+01
      3  -0.872450D+00 -0.226703D+01 -0.121028D+01  0.497519D+01  0.274157D+01
               146           147           148           149           150 
      1   0.126437D+01  0.274157D+01  0.234905D+01  0.181667D+01  0.194540D+01
      2   0.172708D+01  0.114820D+01  0.181667D+01  0.183700D+01  0.139534D+01
      3   0.114820D+01  0.231888D+01  0.194540D+01  0.139534D+01  0.276849D+01
               151           152           153 
      1   0.200932D+01  0.105807D+01  0.170736D+01
      2   0.105807D+01  0.944415D+00  0.120503D+01
      3   0.170736D+01  0.120503D+01  0.319621D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860457D-02  0.292507D-02  0.757696D-02  0.470713D-02 -0.130694D-01
      2   0.832556D-02  0.145142D-01  0.482025D+01  0.108687D-01  0.122800D-02
      3  -0.213182D-01 -0.482141D+01 -0.508623D-02  0.481754D+01 -0.206290D-01
                 6             7             8             9            10 
      1  -0.481518D+01  0.170799D-01  0.481070D+01 -0.893138D-02  0.119344D+01
      2   0.260663D-02 -0.481310D+01 -0.452362D-02  0.430398D-02 -0.711811D+01
      3  -0.727130D-02  0.153130D-02  0.167377D-02 -0.149128D-01 -0.968251D+00
                11            12            13            14            15 
      1   0.689118D+01  0.375948D+01  0.862488D+01 -0.188300D+01 -0.432878D+01
      2  -0.630671D+01  0.337205D+01 -0.582700D+01 -0.275606D+01 -0.796169D+01
      3   0.448485D+01  0.511390D+01  0.101646D+02 -0.321263D+01 -0.586840D+01
                16            17            18            19            20 
      1   0.434934D+01  0.680727D+00  0.709167D+00 -0.327452D+01 -0.208147D+01
      2  -0.356640D+01 -0.855253D+01  0.986139D+01  0.658702D+01  0.631042D+01
      3   0.463411D+01 -0.413609D+01  0.420300D+01 -0.433421D+01 -0.734688D+01
                21            22            23            24            25 
      1   0.749999D+01 -0.316045D+01 -0.305119D+01 -0.544988D+01  0.897022D+01
      2  -0.389299D+01  0.527919D+01 -0.434264D+01 -0.158630D+01 -0.958182D+01
      3  -0.303700D+01 -0.100151D+01  0.102662D+02  0.750377D+01 -0.200325D+01
                26            27            28            29            30 
      1   0.121406D+00  0.631392D+01  0.451383D+01  0.467777D+01 -0.728656D+01
      2  -0.306032D+01 -0.226129D+01  0.115031D+01  0.472338D+01  0.414114D+00
      3   0.642405D+01 -0.590753D+01  0.459043D+01 -0.880650D+01 -0.923788D+01
                31            32            33            34            35 
      1   0.511792D+01 -0.241789D+01  0.356805D+01 -0.875271D+01  0.986289D+01
      2   0.393638D+01  0.798636D+00  0.470275D+01 -0.406089D+01  0.617514D+01
      3  -0.193395D+01 -0.717543D+01 -0.591759D+01 -0.845128D+01 -0.547641D+01
                36            37            38            39            40 
      1  -0.207902D+01 -0.242177D+01 -0.948090D+01 -0.399827D+01 -0.105760D+02
      2  -0.192350D+01 -0.623529D+00 -0.474353D+01  0.118526D+02 -0.341229D+01
      3   0.257713D+01  0.727785D+00 -0.853291D-01  0.716506D+01  0.453284D+01
                41            42            43            44            45 
      1   0.735855D+01 -0.554962D+01 -0.458695D+01  0.108635D+01 -0.495017D+01
      2   0.629845D+01  0.486298D+01  0.545701D+01  0.545053D+01 -0.568648D+01
      3   0.127772D+00  0.427711D+01  0.583776D+01  0.317961D+01 -0.862750D+00
                46            47            48            49            50 
      1  -0.298825D+00  0.921516D+00  0.868790D-01 -0.421028D+00 -0.220706D+01
      2  -0.271281D+01  0.179308D+01 -0.243796D+01  0.283231D+01 -0.244976D+01
      3  -0.139554D+01 -0.662273D-01 -0.149836D+01  0.144474D+01 -0.197872D+01
                51            52            53            54            55 
      1  -0.138910D+00 -0.439353D+00  0.419738D+01  0.719727D+00  0.251246D+01
      2   0.448755D+01 -0.529749D+01  0.435218D+01 -0.999016D+01  0.253840D+01
      3   0.284025D+01 -0.237735D+01  0.287049D+01 -0.392796D+01  0.267320D+01
                56            57            58            59            60 
      1  -0.389109D+01 -0.719082D+00 -0.363410D+01  0.695754D+01  0.366377D-01
      2  -0.542249D+00  0.166754D+01 -0.203824D+01  0.950023D+00 -0.191694D+01
      3  -0.582837D+01 -0.194893D+01 -0.248484D+01  0.906928D+01  0.268905D+01
                61            62            63            64            65 
      1  -0.157537D+01  0.289583D+01  0.942593D+00 -0.323994D+01 -0.296846D+01
      2  -0.836800D+00  0.130555D+00 -0.163234D+01  0.625243D+01  0.418547D+01
      3  -0.139813D+01  0.278009D+01  0.147173D+01 -0.454407D+00 -0.484503D+01
                66            67            68            69            70 
      1  -0.261311D+01 -0.335808D+01 -0.309786D+01 -0.306456D+01 -0.173419D+01
      2   0.474965D+01  0.423682D+01  0.388114D+01  0.430989D+01  0.231118D+01
      3  -0.964258D+00 -0.828461D+00 -0.428594D+01 -0.494082D+00 -0.230291D+00
                71            72            73            74            75 
      1  -0.821548D+00 -0.227949D+01 -0.203862D+01  0.210417D+01 -0.333582D+01
      2   0.289310D+01  0.315511D+01 -0.829483D+00 -0.694486D+00  0.293201D+01
      3  -0.209434D+01 -0.117092D+01  0.242851D+01 -0.207894D+01  0.270890D+01
                76            77            78            79            80 
      1   0.148958D+01 -0.311046D+01  0.249569D+01 -0.373196D+01  0.559490D+01
      2   0.513405D+00  0.124631D+01 -0.213949D+01 -0.107482D+01 -0.924810D+00
      3  -0.488278D+00  0.196014D+01 -0.272292D+01  0.264402D+01 -0.393573D+01
                81            82            83            84            85 
      1  -0.753456D+01  0.400777D+01  0.116699D+01 -0.410489D+01  0.179156D+01
      2   0.616631D+01 -0.646242D+01 -0.253272D+01  0.711926D+01 -0.206211D+01
      3   0.467449D+01  0.523163D+01 -0.199800D+01 -0.145682D+01  0.148349D+01
                86            87            88            89            90 
      1   0.126192D+01 -0.179681D+01 -0.338737D+01  0.209615D-02  0.334121D+01
      2  -0.128347D+01  0.177974D+01  0.369113D+01  0.159898D+01 -0.556237D+01
      3  -0.111977D+01 -0.535955D+00 -0.270647D+01  0.129627D+01  0.180052D+01
                91            92            93            94            95 
      1   0.864035D+00 -0.148290D+01  0.971738D+00 -0.575517D+00  0.444397D+01
      2   0.162932D+01 -0.220817D+01  0.188024D+00 -0.301022D+01  0.379278D+01
      3  -0.395746D+01  0.354847D+01  0.135221D+01  0.676935D+01 -0.966351D+01
                96            97            98            99           100 
      1  -0.285995D+01 -0.603626D+00  0.119981D+01 -0.123060D+01  0.201705D+01
      2   0.171637D+01 -0.123193D+01  0.193546D+01  0.131573D+01  0.875312D+00
      3  -0.320400D+01  0.178142D+01 -0.290887D+01 -0.136303D+01 -0.232373D+01
               101           102           103           104           105 
      1  -0.178509D+01  0.406232D+01 -0.237610D+01  0.314056D+01 -0.575893D+01
      2  -0.160717D+01  0.321403D+01 -0.759285D+00  0.203847D+01 -0.304077D+01
      3  -0.164886D+00 -0.380177D+00  0.248429D+01  0.142159D+01  0.354281D+00
               106           107           108           109           110 
      1   0.362064D+01 -0.275175D+01  0.931355D+01 -0.131512D+01 -0.702656D-01
      2   0.168805D+00 -0.276051D+01  0.567231D+01 -0.302338D+01 -0.207052D+01
      3  -0.253841D+01 -0.101238D+01 -0.863808D+00  0.634576D+01  0.373664D+01
               111           112           113           114           115 
      1  -0.256086D+01 -0.977173D+00  0.122284D+00 -0.411874D+01 -0.450765D+00
      2  -0.226452D+00 -0.269920D+01 -0.249210D+01 -0.135350D+01 -0.262123D+01
      3   0.337663D+01  0.654671D+01  0.604729D+01  0.345499D+01  0.437213D+01
               116           117           118           119           120 
      1  -0.623970D+00 -0.286946D+01 -0.460193D+01 -0.218085D+01  0.477916D+01
      2  -0.210206D+01 -0.121836D+01  0.114490D+01 -0.389718D+00  0.351736D+01
      3   0.316527D+01  0.258457D+01 -0.793749D+01 -0.288570D+01  0.496983D+01
               121           122           123           124           125 
      1  -0.106254D+01 -0.120027D+01 -0.545420D-01  0.435705D+01  0.179095D+01
      2   0.680071D-01 -0.240872D+00  0.338950D+00 -0.937766D+00 -0.438864D+00
      3  -0.496271D+00 -0.130738D+01  0.130066D+01  0.546231D+01  0.258186D+01
               126           127           128           129           130 
      1  -0.461110D+01 -0.278811D+01  0.498919D+01  0.213028D+01  0.484267D+01
      2  -0.276908D+01 -0.297801D+01  0.330593D+01  0.131742D+01  0.378213D+01
      3  -0.394459D+01 -0.157520D+01 -0.178382D+01 -0.547673D+00  0.265874D+01
               131           132           133           134           135 
      1  -0.985223D+01 -0.395853D+01  0.115496D+01 -0.122307D+01 -0.183373D+01
      2  -0.463694D+01 -0.252618D+01 -0.196265D+00 -0.138267D+01 -0.969969D+00
      3   0.311242D+01 -0.223319D+00  0.288831D+00  0.410925D+00  0.231964D+00
               136           137           138           139           140 
      1   0.754638D+00 -0.202171D+01 -0.150600D+01  0.255020D+00 -0.144989D+01
      2   0.846072D+01  0.213335D+01 -0.428655D+01  0.233587D+01  0.115769D+01
      3   0.397012D+01 -0.544152D+00 -0.288430D+01  0.181040D+01  0.632006D+00
               141           142           143           144           145 
      1  -0.239726D+00 -0.445368D+00  0.281446D+01  0.250683D+01  0.412422D+01
      2  -0.184475D+01 -0.757277D+01 -0.224348D+01  0.553640D+01 -0.489832D+01
      3  -0.138075D+01 -0.325146D+01 -0.481256D+00  0.270331D+01 -0.299982D+01
               146           147           148           149           150 
      1   0.520898D+01  0.282719D+01  0.401399D+01  0.499791D+01  0.206603D+01
      2  -0.137067D+01 -0.352595D+00 -0.318663D+01 -0.196289D+01  0.168774D+00
      3  -0.448305D+01 -0.272618D+01 -0.151046D+01 -0.387271D+01 -0.206516D+01
               151           152           153 
      1   0.323836D+01  0.433117D+01  0.355021D+01
      2  -0.380581D+01 -0.106609D+01  0.301348D+00
      3  -0.206547D+01 -0.266516D+01 -0.219120D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.514606D+01 -0.337695D+01  0.308114D+01 -0.337744D+01 -0.208870D+01
      2  -0.210953D+01  0.360802D+01 -0.145287D+01  0.360682D+01  0.198388D+01
      3  -0.303654D+01 -0.231074D+00 -0.162827D+01 -0.229381D+00  0.104824D+00
      4  -0.339318D+01 -0.264191D+01 -0.963067D+00 -0.264176D+01  0.362269D+01
      5   0.307201D+01 -0.970630D+00 -0.357654D+01 -0.967018D+00 -0.144893D+01
      6  -0.968344D+00 -0.144872D+01 -0.241320D+00 -0.144858D+01 -0.427042D+01
                 6             7             8             9            10 
      1  -0.960369D+00  0.309696D+01 -0.945317D+00 -0.304688D+01 -0.606032D+01
      2  -0.425464D+01 -0.144759D+01 -0.424643D+01  0.111973D+00 -0.401338D+01
      3   0.521501D+01 -0.164937D+01  0.519174D+01  0.293491D+01  0.100737D+02
      4  -0.144654D+01 -0.945645D+00 -0.145095D+01 -0.249949D+00 -0.144056D+01
      5  -0.233227D+00 -0.358375D+01 -0.231303D+00 -0.163901D+01 -0.615361D+01
      6  -0.432607D+00 -0.245127D+00 -0.439259D+00  0.520371D+01 -0.438481D+01
                11            12            13            14            15 
      1  -0.444661D+01 -0.241618D+01 -0.468391D+01 -0.873239D+01 -0.149381D+02
      2  -0.669297D+01  0.371748D+01 -0.560915D+01  0.541750D+01  0.180227D+01
      3   0.111396D+02 -0.130130D+01  0.102931D+02  0.331488D+01  0.131359D+02
      4  -0.134391D+02 -0.105923D+02 -0.142100D+02  0.245639D+01  0.175245D+01
      5  -0.915971D+01  0.647867D+01 -0.996367D+01  0.716514D+01  0.317082D+01
      6   0.470203D+01  0.908880D+01  0.507800D+01 -0.392515D+01 -0.729848D+01
                16            17            18            19            20 
      1  -0.257332D+01 -0.151827D+02  0.147875D+02 -0.930000D+01 -0.935327D+01
      2   0.316068D+01  0.254234D+01 -0.140510D+01  0.293071D+01  0.643782D+01
      3  -0.587363D+00  0.126404D+02 -0.133824D+02  0.636929D+01  0.291545D+01
      4  -0.116433D+02  0.829258D+00 -0.990730D+00 -0.416547D+01  0.180540D+01
      5   0.670276D+01  0.256831D+01 -0.101188D+01  0.541067D+01  0.770139D+01
      6   0.764185D+01 -0.740587D+01  0.832715D+01  0.700444D+01  0.113927D+02
                21            22            23            24            25 
      1   0.573670D+01 -0.955703D+01  0.147725D+02  0.984307D+01  0.626636D+01
      2   0.937513D+01  0.544790D+01 -0.151319D+02 -0.115143D+02  0.849485D+01
      3  -0.151118D+02  0.410913D+01  0.359379D+00  0.167120D+01 -0.147612D+02
      4   0.116530D+02  0.270472D+01  0.348425D+01  0.514555D+01  0.124351D+02
      5  -0.644858D+01  0.782881D+01  0.443298D+01  0.838745D+01 -0.751977D+01
      6   0.485385D-01  0.103866D+02 -0.785871D+01 -0.168692D+01  0.123887D+00
                26            27            28            29            30 
      1   0.105053D+02 -0.547823D+01 -0.350016D+01  0.755064D+01  0.115088D+02
      2  -0.116658D+02  0.121963D+02  0.535174D+01 -0.976149D+01 -0.178552D+02
      3   0.116045D+01 -0.671803D+01 -0.185158D+01  0.221085D+01  0.634637D+01
      4   0.527580D+01  0.664682D+00  0.264186D+01 -0.578517D+00 -0.216277D+01
      5   0.726171D+01 -0.984692D+01  0.700794D+01  0.328314D+01 -0.109816D+02
      6  -0.909781D+00  0.859130D+00 -0.559827D+01 -0.140584D+02  0.479753D+01
                31            32            33            34            35 
      1   0.771167D+01  0.576814D+01  0.619974D+01  0.120551D+02  0.528385D+01
      2  -0.940162D+01 -0.245766D+01 -0.176915D+00 -0.176938D+02 -0.261822D+00
      3   0.168995D+01 -0.331048D+01 -0.602283D+01  0.563867D+01 -0.502202D+01
      4  -0.165643D+00 -0.112016D+02 -0.121172D+02 -0.157872D+01 -0.129471D+02
      5   0.478317D+01 -0.719226D+01  0.115762D+01 -0.111227D+02  0.223450D+01
      6  -0.130703D+02  0.250975D+01 -0.954664D+01  0.534968D+01 -0.100064D+02
                36            37            38            39            40 
      1  -0.225781D+01  0.306094D+01  0.185173D+01 -0.107928D+02  0.213449D+01
      2  -0.289732D+01  0.424502D+01  0.147534D+02  0.287890D+01  0.143002D+02
      3   0.515513D+01 -0.730596D+01 -0.166051D+02  0.791389D+01 -0.164346D+02
      4   0.856604D+01 -0.142635D+01 -0.808104D+01 -0.137228D+00 -0.861095D+01
      5   0.184959D+00 -0.223427D+01 -0.305779D+01 -0.105752D+02 -0.388575D+01
      6   0.309464D+01  0.174834D+01 -0.392735D+01 -0.142518D+02 -0.427598D+01
                41            42            43            44            45 
      1  -0.330053D+01 -0.236220D+01 -0.117264D+02 -0.187784D+01  0.242697D+00
      2  -0.773588D+01  0.435770D+01  0.414445D+01  0.385284D+01  0.349570D+01
      3   0.110364D+02 -0.199550D+01  0.758190D+01 -0.197500D+01 -0.373839D+01
      4   0.997524D+01  0.333246D+01 -0.472921D+00  0.495013D+01 -0.854103D+01
      5  -0.627713D+01 -0.130486D+02 -0.956605D+01 -0.123909D+02  0.852772D+01
      6   0.375396D+01  0.113454D+01 -0.134330D+02  0.922182D+00 -0.549094D+01
                46            47            48            49            50 
      1  -0.133404D+01  0.338671D+01 -0.592287D+01  0.300436D+01 -0.605126D+01
      2  -0.618255D+00 -0.105115D+01 -0.157364D+01 -0.839616D+00  0.238859D+01
      3   0.195229D+01 -0.233556D+01  0.749651D+01 -0.216475D+01  0.366267D+01
      4  -0.758801D+00  0.232879D+01 -0.241063D+00  0.386585D+01  0.234120D+01
      5   0.290163D+01 -0.792566D+00  0.315494D+01 -0.158427D+01 -0.284041D+01
      6  -0.191198D+01  0.297719D+01 -0.398422D+01  0.167952D+00 -0.899762D+01
                51            52            53            54            55 
      1   0.985765D+01 -0.450214D+01  0.953299D+01 -0.206650D+02  0.133349D+02
      2   0.417352D-02  0.126323D+01 -0.196952D+00 -0.106566D+02 -0.754800D+01
      3  -0.986182D+01  0.323890D+01 -0.933604D+01  0.313216D+02 -0.578689D+01
      4  -0.293947D+01 -0.615912D+00 -0.358519D+01  0.380472D+01 -0.807878D+01
      5   0.380552D+01  0.557935D+01  0.318280D+01 -0.956574D+01 -0.994512D+01
      6   0.121134D+02 -0.140506D+01  0.118712D+02 -0.159742D+02  0.487435D+01
                56            57            58            59            60 
      1  -0.606264D+01 -0.319426D+01 -0.906271D+01  0.320544D+01  0.147791D+01
      2   0.485352D+01  0.406488D+01  0.605938D+01  0.639575D+00 -0.399907D+01
      3   0.120912D+01 -0.870623D+00  0.300333D+01 -0.384501D+01  0.252116D+01
      4   0.109708D+02  0.423431D+01  0.124626D+02 -0.158179D+02 -0.524944D+01
      5   0.699489D+01  0.726035D+01  0.103215D+02 -0.794678D+01 -0.890468D+01
      6  -0.552496D+01 -0.351722D+01 -0.663403D+01  0.122046D+02  0.764756D+01
                61            62            63            64            65 
      1  -0.192854D+01  0.193623D+01 -0.132438D+01  0.229383D+02  0.951254D+01
      2   0.374875D+01 -0.300004D+01 -0.384439D+01 -0.637579D+01  0.930888D+00
      3  -0.182021D+01  0.106381D+01  0.516878D+01 -0.165625D+02 -0.104434D+02
      4   0.370193D+01 -0.368887D+01 -0.352297D+01  0.153773D+02  0.139468D+02
      5   0.705186D+01 -0.562670D+01 -0.693414D+01 -0.205296D+01 -0.536839D-01
      6  -0.392330D+01  0.674962D+01  0.304675D+01 -0.168186D+01 -0.302848D+01
                66            67            68            69            70 
      1   0.413283D+01  0.108600D+02  0.520994D+01  0.330830D+01  0.822442D+01
      2  -0.187147D-01  0.803454D+00  0.588209D+01  0.179310D+01 -0.205193D+01
      3  -0.411411D+01 -0.116634D+02 -0.110920D+02 -0.510141D+01 -0.617249D+01
      4   0.355258D+01  0.152913D+02  0.142481D+02  0.221677D+01  0.631804D+01
      5   0.476257D+01 -0.942427D+00 -0.117635D+01  0.365405D+01  0.361510D+01
      6   0.341564D+00 -0.275428D+01 -0.198080D+01  0.350817D+01  0.577620D+00
                71            72            73            74            75 
      1   0.338346D+01  0.125227D+01  0.753502D+01 -0.491040D+00  0.353119D+01
      2   0.219810D+01 -0.285908D+00 -0.824053D+01  0.174238D+01 -0.903739D+01
      3  -0.558157D+01 -0.966366D+00  0.705508D+00 -0.125134D+01  0.550621D+01
      4   0.543706D+01  0.364797D+01  0.156598D+01  0.304368D+01 -0.586408D+00
      5   0.265190D+01  0.438084D+01  0.100505D+02 -0.286752D+01  0.131685D+02
      6   0.231350D+01  0.110611D+01  0.344834D+00  0.207659D+00  0.224484D+01
                76            77            78            79            80 
      1  -0.258840D+01 -0.163030D+01 -0.504259D+00  0.385940D+01 -0.186571D+01
      2   0.352056D+01 -0.655844D+00  0.720769D+01 -0.103982D+02  0.608640D+01
      3  -0.932168D+00  0.228615D+01 -0.670343D+01  0.653885D+01 -0.422070D+01
      4   0.220754D+01 -0.354054D+01  0.281886D+01  0.393384D+00  0.379353D+01
      5  -0.578511D+01  0.318182D+01 -0.688179D+01  0.148259D+02 -0.331597D+01
      6   0.605073D+00 -0.239989D+01  0.351231D+01  0.236573D+01  0.495595D+01
                81            82            83            84            85 
      1  -0.322626D+01  0.264972D+02  0.601018D+01 -0.820029D+01  0.431637D+01
      2  -0.194714D+02 -0.817299D+01  0.130949D+01  0.588414D+00  0.176477D+01
      3   0.226977D+02 -0.183242D+02 -0.731967D+01  0.761188D+01 -0.608114D+01
      4   0.620684D-01  0.176449D+02  0.108289D+02 -0.606451D+01  0.951281D+01
      5   0.215825D+02 -0.401826D+01 -0.144544D+01  0.765832D+01 -0.121011D+01
      6   0.459066D+01 -0.396780D+01 -0.199187D+01  0.465617D+01 -0.253250D+01
                86            87            88            89            90 
      1   0.704823D+00 -0.206506D+01 -0.118215D+02 -0.211834D+01  0.498213D+01
      2   0.455338D+01 -0.116288D+00  0.252597D+01 -0.170277D+01 -0.324418D+01
      3  -0.525820D+01  0.218134D+01  0.929552D+01  0.382111D+01 -0.173795D+01
      4   0.665967D+01 -0.406451D+01 -0.945470D+01 -0.711083D+01  0.467636D+01
      5  -0.181303D+01  0.534525D+00  0.745294D+01  0.158395D+01 -0.671043D+01
      6  -0.236181D+00  0.329883D+01  0.449151D+01  0.321556D+01 -0.573636D+01
                91            92            93            94            95 
      1  -0.163378D+01  0.839143D+01  0.254792D+01  0.675104D+01 -0.226414D+02
      2   0.358168D+01 -0.104351D+02 -0.208997D+01 -0.617435D+01  0.331194D+02
      3  -0.194791D+01  0.204366D+01 -0.457955D+00 -0.576691D+00 -0.104780D+02
      4  -0.378938D+01  0.413295D+01  0.264787D+00  0.572071D+01  0.449214D+01
      5  -0.301230D+01  0.179452D+01  0.215443D+01  0.238795D+01 -0.284683D+00
      6   0.220129D+01 -0.633917D+01 -0.462912D+01 -0.325119D+01  0.180753D+02
                96            97            98            99           100 
      1  -0.822829D+01  0.125311D+01 -0.740052D+01 -0.487406D+01  0.466936D+01
      2   0.729602D+01 -0.189038D+01  0.618705D+01  0.191917D+01  0.284215D+00
      3   0.932265D+00  0.637275D+00  0.121347D+01  0.295489D+01 -0.495357D+01
      4   0.119752D+01  0.333426D-03  0.109923D+01  0.338305D+00 -0.895052D+01
      5   0.566842D+00  0.313709D+01 -0.241684D+00  0.161094D+01  0.344406D+01
      6   0.112437D+02 -0.184221D+01  0.104523D+02  0.688292D+01 -0.357734D+01
               101           102           103           104           105 
      1  -0.182745D+01  0.110439D+01 -0.105403D+01 -0.567511D+01  0.150395D+01
      2  -0.318220D+01  0.274575D+01 -0.364333D+01  0.138550D+02 -0.662740D+01
      3   0.500964D+01 -0.385014D+01  0.469736D+01 -0.817991D+01  0.512346D+01
      4   0.891158D+01 -0.550084D+01  0.805696D+01 -0.915669D+01  0.706654D+01
      5  -0.317994D+01  0.697612D+01 -0.258028D+01  0.420984D+01 -0.374248D+01
      6   0.464689D+01 -0.544349D+01  0.483768D+01 -0.780615D+01  0.101217D+02
               106           107           108           109           110 
      1   0.215051D+01  0.369486D+01 -0.261607D+01 -0.242204D+01 -0.889366D+01
      2   0.256056D+01 -0.103743D+02  0.303251D+01  0.413232D+01  0.132883D+02
      3  -0.471107D+01  0.667941D+01 -0.416435D+00 -0.171028D+01 -0.439463D+01
      4  -0.872759D+01  0.102547D+02 -0.798478D+01  0.895394D+01  0.753783D+01
      5   0.735617D+01 -0.503151D+01  0.941434D+01  0.294355D+01  0.184477D+01
      6  -0.630930D+01  0.117555D+02 -0.158034D+02  0.532032D+01  0.853771D+01
               111           112           113           114           115 
      1  -0.559616D+01 -0.660733D+01 -0.161525D+02 -0.805941D+01 -0.493134D+01
      2   0.425846D+01  0.833782D+01  0.244146D+02  0.781759D+01  0.401839D+01
      3   0.133770D+01 -0.173048D+01 -0.826210D+01  0.241812D+00  0.912948D+00
      4   0.396872D+01  0.736331D+01  0.496466D+01  0.307161D+01  0.418752D+01
      5   0.369597D+01  0.121994D+01  0.154100D+01 -0.229145D-01  0.429773D+01
      6   0.674997D+01  0.579798D+01  0.130477D+02  0.110929D+02  0.368175D+01
               116           117           118           119           120 
      1  -0.890411D+01 -0.712083D+01  0.189226D+02  0.389924D+00 -0.763973D+01
      2   0.864687D+01  0.406006D+01 -0.136922D+02 -0.259694D+01  0.100391D+02
      3   0.257237D+00  0.306078D+01 -0.523038D+01  0.220701D+01 -0.239939D+01
      4   0.277608D+01  0.141388D+01 -0.121249D+02  0.642026D+01  0.645554D+01
      5   0.460712D+00  0.119240D+01 -0.160859D+02  0.934576D+00  0.136737D+02
      6   0.122390D+02  0.999091D+01  0.686083D+01 -0.164562D+01 -0.701897D+01
               121           122           123           124           125 
      1   0.281319D+01  0.525343D+00 -0.129605D+01 -0.816212D+01 -0.183065D+01
      2  -0.313101D+01 -0.329130D+00  0.307726D+01  0.103280D+02  0.304904D+01
      3   0.317822D+00 -0.196213D+00 -0.178121D+01 -0.216590D+01 -0.121839D+01
      4   0.359874D+01  0.911770D+00 -0.125077D+01  0.743303D+01 -0.256858D+01
      5  -0.188005D+01 -0.185789D+01  0.156317D+01  0.139396D+02 -0.139662D+01
      6  -0.814007D+00 -0.538113D-01  0.299722D+01 -0.638374D+01  0.522658D+01
               126           127           128           129           130 
      1   0.195910D+01  0.498534D+01 -0.216310D+01 -0.211546D+00 -0.238165D+01
      2  -0.878789D+01  0.161293D+01 -0.738378D+01 -0.128998D+01 -0.746544D+01
      3   0.682879D+01 -0.659827D+01  0.954688D+01  0.150153D+01  0.984709D+01
      4  -0.617873D+01 -0.105070D+02  0.129588D+02 -0.470031D+00  0.133986D+02
      5  -0.132073D+02  0.484436D+01 -0.380933D+01  0.457414D+01 -0.486765D+01
      6   0.712173D+01 -0.415492D+01  0.646731D+01 -0.123008D+01  0.623002D+01
               131           132           133           134           135 
      1  -0.627734D+01  0.271517D+01 -0.112665D+01  0.498469D+00 -0.706041D+00
      2   0.236399D+02  0.128656D+01 -0.100915D+01  0.399138D+01  0.132642D+01
      3  -0.173625D+02 -0.400173D+01  0.213580D+01 -0.448985D+01 -0.620378D+00
      4  -0.182565D+02  0.565610D+00  0.227151D+01 -0.249170D+01 -0.162530D+01
      5   0.588392D+01 -0.212079D+01  0.263692D+01 -0.989865D+00 -0.115658D+01
      6  -0.135947D+02  0.629162D+01 -0.545556D+00  0.340924D+01  0.912172D+00
               136           137           138           139           140 
      1  -0.226983D+01 -0.367083D+01  0.930676D+01 -0.263748D+01 -0.362768D+01
      2  -0.427579D+01  0.429664D+00  0.548993D+01 -0.394722D+00  0.245898D+01
      3   0.654562D+01  0.324116D+01 -0.147967D+02  0.303220D+01  0.116869D+01
      4   0.641012D+01  0.449215D+01 -0.410768D+01  0.455678D+01  0.739830D+00
      5  -0.126500D+02 -0.295203D+01  0.113730D+02 -0.202225D+01 -0.193122D+01
      6  -0.521296D+01 -0.676050D+01  0.917155D+01 -0.372731D+01 -0.615164D+01
               141           142           143           144           145 
      1   0.487110D+01  0.738291D+01  0.521909D+01 -0.142924D+02  0.100122D+02
      2  -0.122903D+01  0.270309D+01 -0.523346D+00 -0.971986D+01 -0.123830D+02
      3  -0.364207D+01 -0.100860D+02 -0.469575D+01  0.240123D+02  0.237084D+01
      4  -0.234145D+01 -0.357181D+01 -0.186525D+01  0.394447D+01  0.204089D+01
      5   0.296248D+01  0.104124D+02  0.325946D+01 -0.869656D+01  0.164781D+02
      6   0.815941D+01  0.622940D+01  0.808735D+01 -0.113951D+02  0.310389D+01
               146           147           148           149           150 
      1   0.319253D+01  0.302456D+01  0.435882D+01  0.700674D+00 -0.136294D+01
      2  -0.624992D+01 -0.984056D+01 -0.718149D+01 -0.146177D+01 -0.672516D+01
      3   0.305740D+01  0.681601D+01  0.282267D+01  0.761092D+00  0.808810D+01
      4   0.529826D+01  0.696627D+00  0.482473D+01  0.407732D+01  0.224235D+01
      5   0.573506D+01  0.145873D+02  0.914721D+01  0.635397D+01  0.915201D+01
      6   0.579349D+01  0.321729D+01  0.540529D+01  0.768351D+01  0.577931D+01
               151           152           153 
      1   0.248296D+01  0.711190D-01 -0.290645D+01
      2  -0.845716D+01 -0.458241D+01 -0.111201D+02
      3   0.597420D+01  0.451129D+01  0.140266D+02
      4   0.269742D+00  0.129273D+01  0.197500D+01
      5   0.127208D+02  0.602128D+01  0.118752D+02
      6   0.362597D+01  0.549897D+01  0.326380D+01
 Leave Link  716 at Thu Jan 27 11:56:20 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.106337D-03  0.340185D-03
      2   0.106337D-03  0.679356D+02 -0.298370D-03
      3   0.340185D-03 -0.298370D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359369D-03 -0.120539D-02 -0.143518D-02
      2  -0.119719D-02 -0.762062D-04 -0.512768D-03
      3   0.100980D-02  0.132700D-02  0.100112D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353164D+00  0.177691D-01  0.127565D+01
      2   0.161888D+01 -0.993499D+00 -0.464835D+00
      3  -0.126572D+01  0.975730D+00 -0.810812D+00
      4   0.158684D-01  0.161883D+01  0.171697D+01
      5   0.127623D+01  0.171700D+01 -0.126415D+01
      6   0.171739D+01 -0.463580D+00  0.972692D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122523D+01  0.761331D-01  0.451718D+01  0.781530D-01  0.572105D+01
      2   0.761331D-01  0.571069D+01  0.608168D+01  0.572105D+01 -0.351140D+01
      3   0.451718D+01  0.608168D+01 -0.447919D+01  0.607973D+01 -0.165770D+01
                 6             7             8             9            10 
      1   0.607973D+01  0.451140D+01  0.608193D+01 -0.447934D+01 -0.777458D+00
      2  -0.165770D+01  0.608193D+01 -0.166276D+01  0.343555D+01 -0.562198D-01
      3   0.343889D+01 -0.447934D+01  0.343555D+01 -0.284490D+01 -0.294601D+01
                11            12            13            14            15 
      1  -0.562198D-01 -0.294601D+01  0.324268D+00 -0.511652D+01 -0.433174D+01
      2  -0.373511D+01 -0.433149D+01 -0.511652D+01  0.148161D+01  0.220890D+01
      3  -0.433149D+01  0.384004D+01 -0.433174D+01  0.220890D+01 -0.200628D+01
                16            17            18            19            20 
      1  -0.408460D+01 -0.433400D+01  0.246322D+01  0.250017D+01  0.293898D+00
      2  -0.433400D+01  0.107085D+01 -0.239435D+01  0.293898D+00 -0.450701D+01
      3   0.246322D+01 -0.239435D+01  0.356235D+01 -0.271734D+01 -0.460211D+01
                21            22            23            24            25 
      1  -0.271734D+01 -0.836004D+00 -0.333280D+01 -0.460232D+01 -0.353970D+01
      2  -0.460211D+01 -0.333280D+01  0.400020D+01  0.138807D+01 -0.460020D+01
      3   0.257674D+01 -0.460232D+01  0.138807D+01 -0.261031D+01  0.375166D+01
                26            27            28            29            30 
      1  -0.460020D+01  0.375166D+01  0.235123D+01 -0.106180D+01 -0.326900D+01
      2   0.560304D+00 -0.148236D+01 -0.106180D+01 -0.483661D+01 -0.433708D+01
      3  -0.148236D+01  0.338534D+01 -0.326900D+01 -0.433708D+01  0.289949D+01
                31            32            33            34            35 
      1   0.486134D+00 -0.397916D+01 -0.433790D+01 -0.280795D+01 -0.433973D+01
      2  -0.397916D+01  0.942412D+00  0.120343D+01 -0.433973D+01  0.166920D+01
      3  -0.433790D+01  0.120343D+01 -0.217879D+01  0.376174D+01 -0.372631D+01
                36            37            38            39            40 
      1   0.376174D+01 -0.481059D+00  0.618093D+00 -0.420936D+01 -0.185445D+00
      2  -0.372631D+01  0.618093D+00 -0.356093D+01 -0.444137D+01 -0.422549D+01
      3   0.910866D+00 -0.420936D+01 -0.444137D+01  0.372326D+01 -0.444252D+01
                41            42            43            44            45 
      1  -0.422549D+01 -0.444252D+01 -0.270266D+01 -0.444323D+01  0.306159D+01
      2   0.378287D+01  0.205948D-01 -0.444323D+01  0.152983D+01 -0.240735D+01
      3   0.205948D-01 -0.321723D+01  0.306159D+01 -0.240735D+01  0.442943D+00
                46            47            48            49            50 
      1  -0.653443D+00  0.456176D+00 -0.661078D+00  0.687345D+00  0.302634D+00
      2   0.456176D+00 -0.552769D+00  0.111311D+01  0.302634D+00  0.187773D+01
      3  -0.661078D+00  0.111311D+01 -0.240208D+01  0.379717D+00 -0.218079D+01
                51            52            53            54            55 
      1   0.379717D+00 -0.101276D+01  0.426022D+00 -0.354667D+00  0.330141D+01
      2  -0.218079D+01  0.426022D+00 -0.206174D+01  0.263788D+01 -0.184304D+01
      3   0.286113D+01 -0.354667D+00  0.263788D+01 -0.730248D+01 -0.107097D+01
                56            57            58            59            60 
      1  -0.184304D+01 -0.107097D+01 -0.336497D+01  0.299304D+01  0.186405D+01
      2   0.216180D+01  0.106818D+01  0.299304D+01 -0.457189D+01 -0.183615D+01
      3   0.106818D+01  0.839103D+00  0.186405D+01 -0.183615D+01 -0.194104D+01
                61            62            63            64            65 
      1  -0.673690D+00  0.984972D+00  0.956483D+00  0.510291D+01  0.248280D+01
      2   0.984972D+00 -0.112449D+01 -0.906691D+00  0.248280D+01  0.245689D+01
      3   0.956483D+00 -0.906691D+00 -0.177356D+01  0.842563D+00  0.753614D+00
                66            67            68            69            70 
      1   0.842563D+00  0.315994D+01  0.297087D+01  0.691841D+00  0.261487D+01
      2   0.753614D+00  0.297087D+01  0.318962D+01  0.364536D+00  0.152317D+01
      3   0.799023D+00  0.691841D+00  0.364536D+00  0.120362D+01  0.832071D+00
                71            72            73            74            75 
      1   0.152317D+01  0.832071D+00 -0.237408D+01  0.291324D+00 -0.168614D+01
      2   0.135365D+01  0.100742D+01  0.291324D+00 -0.254611D+00  0.677427D+00
      3   0.100742D+01  0.843928D+00 -0.168614D+01  0.677427D+00 -0.225712D+01
                76            77            78            79            80 
      1   0.139822D+01 -0.368756D+00  0.148335D+01 -0.219323D+01  0.605887D+00
      2  -0.368756D+00  0.764290D+00 -0.122784D+01  0.605887D+00 -0.141735D+01
      3   0.148335D+01 -0.122784D+01  0.249951D+01 -0.305226D+01  0.895066D+00
                81            82            83            84            85 
      1  -0.305226D+01 -0.628913D+01 -0.199996D+01  0.196988D+01 -0.117776D+01
      2   0.895066D+00 -0.199996D+01 -0.135656D+01  0.881804D+00 -0.109328D+01
      3  -0.661476D+01  0.196988D+01  0.881804D+00 -0.192238D+01  0.803579D+00
                86            87            88            89            90 
      1  -0.109328D+01  0.803579D+00  0.371480D+01  0.163748D+01 -0.217301D+01
      2  -0.159205D+01  0.460371D+00  0.163748D+01  0.140827D+01 -0.678168D+00
      3   0.460371D+00 -0.311542D+00 -0.217301D+01 -0.678168D+00  0.188331D+01
                91            92            93            94            95 
      1   0.992107D+00 -0.127496D+01 -0.246308D+00 -0.140388D+01  0.118521D+01
      2  -0.127496D+01  0.321205D+01  0.129589D+01  0.118521D+01 -0.766795D+01
      3  -0.246308D+00  0.129589D+01  0.810455D+00  0.570687D+00 -0.225320D+01
                96            97            98            99           100 
      1   0.570687D+00 -0.166292D+00  0.612657D+00 -0.203953D-01 -0.209909D+01
      2  -0.225320D+01  0.612657D+00 -0.168920D+01 -0.139956D+01  0.148240D+01
      3  -0.156902D+01 -0.203953D-01 -0.139956D+01 -0.156020D+01 -0.994489D+00
               101           102           103           104           105 
      1   0.148240D+01 -0.994489D+00  0.109036D+01 -0.104302D+01  0.108803D+01
      2  -0.107980D+01  0.116039D+01 -0.104302D+01  0.308332D+01 -0.177361D+01
      3   0.116039D+01 -0.155555D+01  0.108803D+01 -0.177361D+01  0.183222D+01
               106           107           108           109           110 
      1  -0.191210D+01  0.192007D+01 -0.202785D+01  0.206880D+01  0.187388D+01
      2   0.192007D+01 -0.347877D+01  0.271677D+01  0.187388D+01  0.377655D+01
      3  -0.202785D+01  0.271677D+01 -0.418660D+01  0.133772D+01  0.174980D+01
               111           112           113           114           115 
      1   0.133772D+01  0.144396D+01  0.178855D+01  0.101611D+01  0.127207D+01
      2   0.174980D+01  0.178855D+01  0.494171D+01  0.184057D+01  0.107230D+01
      3   0.138839D+01  0.101611D+01  0.184057D+01  0.174903D+01  0.582593D+00
               116           117           118           119           120 
      1   0.107230D+01  0.582593D+00 -0.565672D+01  0.655022D+00  0.308875D+01
      2   0.227670D+01  0.217688D+01  0.655022D+00 -0.911575D+00  0.236178D-01
      3   0.217688D+01  0.207091D+01  0.308875D+01  0.236178D-01 -0.283102D+01
               121           122           123           124           125 
      1  -0.987748D+00 -0.333254D+00  0.830798D+00  0.333569D+01 -0.556566D-01
      2  -0.333254D+00 -0.259383D+00  0.419086D+00 -0.556566D-01  0.946814D+00
      3   0.830798D+00  0.419086D+00 -0.488509D+00 -0.292886D+01  0.669631D+00
               126           127           128           129           130 
      1  -0.292886D+01  0.249014D+01 -0.223684D+01  0.527125D+00 -0.240745D+01
      2   0.669631D+00 -0.223684D+01  0.295843D+01  0.157529D+00  0.314115D+01
      3   0.337932D+01  0.527125D+00  0.157529D+00  0.488515D+00  0.899645D-01
               131           132           133           134           135 
      1   0.314115D+01  0.899645D-01 -0.491871D+00  0.927010D+00  0.186703D+00
      2  -0.691358D+01  0.419481D+00  0.927010D+00 -0.140084D+01 -0.539137D+00
      3   0.419481D+00 -0.115771D+01  0.186703D+00 -0.539137D+00 -0.367863D+00
               136           137           138           139           140 
      1  -0.319822D+01 -0.102129D+01  0.277590D+01 -0.654178D+00 -0.426873D+00
      2  -0.102129D+01 -0.120851D+01  0.160082D+01 -0.426873D+00 -0.138450D+01
      3   0.277590D+01  0.160082D+01 -0.423655D+01  0.871206D+00  0.120892D+01
               141           142           143           144           145 
      1   0.871206D+00  0.212670D+01  0.923251D+00 -0.226703D+01  0.394766D+01
      2   0.120892D+01  0.923251D+00  0.107513D+01 -0.121028D+01  0.126437D+01
      3  -0.872450D+00 -0.226703D+01 -0.121028D+01  0.497519D+01  0.274157D+01
               146           147           148           149           150 
      1   0.126437D+01  0.274157D+01  0.234905D+01  0.181667D+01  0.194540D+01
      2   0.172708D+01  0.114820D+01  0.181667D+01  0.183700D+01  0.139534D+01
      3   0.114820D+01  0.231888D+01  0.194540D+01  0.139534D+01  0.276849D+01
               151           152           153 
      1   0.200932D+01  0.105807D+01  0.170736D+01
      2   0.105807D+01  0.944415D+00  0.120503D+01
      3   0.170736D+01  0.120503D+01  0.319621D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860457D-02  0.292507D-02  0.757696D-02  0.470713D-02 -0.130694D-01
      2   0.832556D-02  0.145142D-01  0.482025D+01  0.108687D-01  0.122800D-02
      3  -0.213182D-01 -0.482141D+01 -0.508623D-02  0.481754D+01 -0.206290D-01
                 6             7             8             9            10 
      1  -0.481518D+01  0.170799D-01  0.481070D+01 -0.893138D-02  0.119344D+01
      2   0.260663D-02 -0.481310D+01 -0.452362D-02  0.430398D-02 -0.711811D+01
      3  -0.727130D-02  0.153130D-02  0.167377D-02 -0.149128D-01 -0.968251D+00
                11            12            13            14            15 
      1   0.689118D+01  0.375948D+01  0.862488D+01 -0.188300D+01 -0.432878D+01
      2  -0.630671D+01  0.337205D+01 -0.582700D+01 -0.275606D+01 -0.796169D+01
      3   0.448485D+01  0.511390D+01  0.101646D+02 -0.321263D+01 -0.586840D+01
                16            17            18            19            20 
      1   0.434934D+01  0.680727D+00  0.709167D+00 -0.327452D+01 -0.208147D+01
      2  -0.356640D+01 -0.855253D+01  0.986139D+01  0.658702D+01  0.631042D+01
      3   0.463411D+01 -0.413609D+01  0.420300D+01 -0.433421D+01 -0.734688D+01
                21            22            23            24            25 
      1   0.749999D+01 -0.316045D+01 -0.305119D+01 -0.544988D+01  0.897022D+01
      2  -0.389299D+01  0.527919D+01 -0.434264D+01 -0.158630D+01 -0.958182D+01
      3  -0.303700D+01 -0.100151D+01  0.102662D+02  0.750377D+01 -0.200325D+01
                26            27            28            29            30 
      1   0.121406D+00  0.631392D+01  0.451383D+01  0.467777D+01 -0.728656D+01
      2  -0.306032D+01 -0.226129D+01  0.115031D+01  0.472338D+01  0.414114D+00
      3   0.642405D+01 -0.590753D+01  0.459043D+01 -0.880650D+01 -0.923788D+01
                31            32            33            34            35 
      1   0.511792D+01 -0.241789D+01  0.356805D+01 -0.875271D+01  0.986289D+01
      2   0.393638D+01  0.798636D+00  0.470275D+01 -0.406089D+01  0.617514D+01
      3  -0.193395D+01 -0.717543D+01 -0.591759D+01 -0.845128D+01 -0.547641D+01
                36            37            38            39            40 
      1  -0.207902D+01 -0.242177D+01 -0.948090D+01 -0.399827D+01 -0.105760D+02
      2  -0.192350D+01 -0.623529D+00 -0.474353D+01  0.118526D+02 -0.341229D+01
      3   0.257713D+01  0.727785D+00 -0.853291D-01  0.716506D+01  0.453284D+01
                41            42            43            44            45 
      1   0.735855D+01 -0.554962D+01 -0.458695D+01  0.108635D+01 -0.495017D+01
      2   0.629845D+01  0.486298D+01  0.545701D+01  0.545053D+01 -0.568648D+01
      3   0.127772D+00  0.427711D+01  0.583776D+01  0.317961D+01 -0.862750D+00
                46            47            48            49            50 
      1  -0.298825D+00  0.921516D+00  0.868790D-01 -0.421028D+00 -0.220706D+01
      2  -0.271281D+01  0.179308D+01 -0.243796D+01  0.283231D+01 -0.244976D+01
      3  -0.139554D+01 -0.662273D-01 -0.149836D+01  0.144474D+01 -0.197872D+01
                51            52            53            54            55 
      1  -0.138910D+00 -0.439353D+00  0.419738D+01  0.719727D+00  0.251246D+01
      2   0.448755D+01 -0.529749D+01  0.435218D+01 -0.999016D+01  0.253840D+01
      3   0.284025D+01 -0.237735D+01  0.287049D+01 -0.392796D+01  0.267320D+01
                56            57            58            59            60 
      1  -0.389109D+01 -0.719082D+00 -0.363410D+01  0.695754D+01  0.366377D-01
      2  -0.542249D+00  0.166754D+01 -0.203824D+01  0.950023D+00 -0.191694D+01
      3  -0.582837D+01 -0.194893D+01 -0.248484D+01  0.906928D+01  0.268905D+01
                61            62            63            64            65 
      1  -0.157537D+01  0.289583D+01  0.942593D+00 -0.323994D+01 -0.296846D+01
      2  -0.836800D+00  0.130555D+00 -0.163234D+01  0.625243D+01  0.418547D+01
      3  -0.139813D+01  0.278009D+01  0.147173D+01 -0.454407D+00 -0.484503D+01
                66            67            68            69            70 
      1  -0.261311D+01 -0.335808D+01 -0.309786D+01 -0.306456D+01 -0.173419D+01
      2   0.474965D+01  0.423682D+01  0.388114D+01  0.430989D+01  0.231118D+01
      3  -0.964258D+00 -0.828461D+00 -0.428594D+01 -0.494082D+00 -0.230291D+00
                71            72            73            74            75 
      1  -0.821548D+00 -0.227949D+01 -0.203862D+01  0.210417D+01 -0.333582D+01
      2   0.289310D+01  0.315511D+01 -0.829483D+00 -0.694486D+00  0.293201D+01
      3  -0.209434D+01 -0.117092D+01  0.242851D+01 -0.207894D+01  0.270890D+01
                76            77            78            79            80 
      1   0.148958D+01 -0.311046D+01  0.249569D+01 -0.373196D+01  0.559490D+01
      2   0.513405D+00  0.124631D+01 -0.213949D+01 -0.107482D+01 -0.924810D+00
      3  -0.488278D+00  0.196014D+01 -0.272292D+01  0.264402D+01 -0.393573D+01
                81            82            83            84            85 
      1  -0.753456D+01  0.400777D+01  0.116699D+01 -0.410489D+01  0.179156D+01
      2   0.616631D+01 -0.646242D+01 -0.253272D+01  0.711926D+01 -0.206211D+01
      3   0.467449D+01  0.523163D+01 -0.199800D+01 -0.145682D+01  0.148349D+01
                86            87            88            89            90 
      1   0.126192D+01 -0.179681D+01 -0.338737D+01  0.209615D-02  0.334121D+01
      2  -0.128347D+01  0.177974D+01  0.369113D+01  0.159898D+01 -0.556237D+01
      3  -0.111977D+01 -0.535955D+00 -0.270647D+01  0.129627D+01  0.180052D+01
                91            92            93            94            95 
      1   0.864035D+00 -0.148290D+01  0.971738D+00 -0.575517D+00  0.444397D+01
      2   0.162932D+01 -0.220817D+01  0.188024D+00 -0.301022D+01  0.379278D+01
      3  -0.395746D+01  0.354847D+01  0.135221D+01  0.676935D+01 -0.966351D+01
                96            97            98            99           100 
      1  -0.285995D+01 -0.603626D+00  0.119981D+01 -0.123060D+01  0.201705D+01
      2   0.171637D+01 -0.123193D+01  0.193546D+01  0.131573D+01  0.875312D+00
      3  -0.320400D+01  0.178142D+01 -0.290887D+01 -0.136303D+01 -0.232373D+01
               101           102           103           104           105 
      1  -0.178509D+01  0.406232D+01 -0.237610D+01  0.314056D+01 -0.575893D+01
      2  -0.160717D+01  0.321403D+01 -0.759285D+00  0.203847D+01 -0.304077D+01
      3  -0.164886D+00 -0.380177D+00  0.248429D+01  0.142159D+01  0.354281D+00
               106           107           108           109           110 
      1   0.362064D+01 -0.275175D+01  0.931355D+01 -0.131512D+01 -0.702656D-01
      2   0.168805D+00 -0.276051D+01  0.567231D+01 -0.302338D+01 -0.207052D+01
      3  -0.253841D+01 -0.101238D+01 -0.863808D+00  0.634576D+01  0.373664D+01
               111           112           113           114           115 
      1  -0.256086D+01 -0.977173D+00  0.122284D+00 -0.411874D+01 -0.450765D+00
      2  -0.226452D+00 -0.269920D+01 -0.249210D+01 -0.135350D+01 -0.262123D+01
      3   0.337663D+01  0.654671D+01  0.604729D+01  0.345499D+01  0.437213D+01
               116           117           118           119           120 
      1  -0.623970D+00 -0.286946D+01 -0.460193D+01 -0.218085D+01  0.477916D+01
      2  -0.210206D+01 -0.121836D+01  0.114490D+01 -0.389718D+00  0.351736D+01
      3   0.316527D+01  0.258457D+01 -0.793749D+01 -0.288570D+01  0.496983D+01
               121           122           123           124           125 
      1  -0.106254D+01 -0.120027D+01 -0.545420D-01  0.435705D+01  0.179095D+01
      2   0.680071D-01 -0.240872D+00  0.338950D+00 -0.937766D+00 -0.438864D+00
      3  -0.496271D+00 -0.130738D+01  0.130066D+01  0.546231D+01  0.258186D+01
               126           127           128           129           130 
      1  -0.461110D+01 -0.278811D+01  0.498919D+01  0.213028D+01  0.484267D+01
      2  -0.276908D+01 -0.297801D+01  0.330593D+01  0.131742D+01  0.378213D+01
      3  -0.394459D+01 -0.157520D+01 -0.178382D+01 -0.547673D+00  0.265874D+01
               131           132           133           134           135 
      1  -0.985223D+01 -0.395853D+01  0.115496D+01 -0.122307D+01 -0.183373D+01
      2  -0.463694D+01 -0.252618D+01 -0.196265D+00 -0.138267D+01 -0.969969D+00
      3   0.311242D+01 -0.223319D+00  0.288831D+00  0.410925D+00  0.231964D+00
               136           137           138           139           140 
      1   0.754638D+00 -0.202171D+01 -0.150600D+01  0.255020D+00 -0.144989D+01
      2   0.846072D+01  0.213335D+01 -0.428655D+01  0.233587D+01  0.115769D+01
      3   0.397012D+01 -0.544152D+00 -0.288430D+01  0.181040D+01  0.632006D+00
               141           142           143           144           145 
      1  -0.239726D+00 -0.445368D+00  0.281446D+01  0.250683D+01  0.412422D+01
      2  -0.184475D+01 -0.757277D+01 -0.224348D+01  0.553640D+01 -0.489832D+01
      3  -0.138075D+01 -0.325146D+01 -0.481256D+00  0.270331D+01 -0.299982D+01
               146           147           148           149           150 
      1   0.520898D+01  0.282719D+01  0.401399D+01  0.499791D+01  0.206603D+01
      2  -0.137067D+01 -0.352595D+00 -0.318663D+01 -0.196289D+01  0.168774D+00
      3  -0.448305D+01 -0.272618D+01 -0.151046D+01 -0.387271D+01 -0.206516D+01
               151           152           153 
      1   0.323836D+01  0.433117D+01  0.355021D+01
      2  -0.380581D+01 -0.106609D+01  0.301348D+00
      3  -0.206547D+01 -0.266516D+01 -0.219120D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.514606D+01 -0.337695D+01  0.308114D+01 -0.337744D+01 -0.208870D+01
      2  -0.210953D+01  0.360802D+01 -0.145287D+01  0.360682D+01  0.198388D+01
      3  -0.303654D+01 -0.231074D+00 -0.162827D+01 -0.229381D+00  0.104824D+00
      4  -0.339318D+01 -0.264191D+01 -0.963067D+00 -0.264176D+01  0.362269D+01
      5   0.307201D+01 -0.970630D+00 -0.357654D+01 -0.967018D+00 -0.144893D+01
      6  -0.968344D+00 -0.144872D+01 -0.241320D+00 -0.144858D+01 -0.427042D+01
                 6             7             8             9            10 
      1  -0.960369D+00  0.309696D+01 -0.945317D+00 -0.304688D+01 -0.606032D+01
      2  -0.425464D+01 -0.144759D+01 -0.424643D+01  0.111973D+00 -0.401338D+01
      3   0.521501D+01 -0.164937D+01  0.519174D+01  0.293491D+01  0.100737D+02
      4  -0.144654D+01 -0.945645D+00 -0.145095D+01 -0.249949D+00 -0.144056D+01
      5  -0.233227D+00 -0.358375D+01 -0.231303D+00 -0.163901D+01 -0.615361D+01
      6  -0.432607D+00 -0.245127D+00 -0.439259D+00  0.520371D+01 -0.438481D+01
                11            12            13            14            15 
      1  -0.444661D+01 -0.241618D+01 -0.468391D+01 -0.873239D+01 -0.149381D+02
      2  -0.669297D+01  0.371748D+01 -0.560915D+01  0.541750D+01  0.180227D+01
      3   0.111396D+02 -0.130130D+01  0.102931D+02  0.331488D+01  0.131359D+02
      4  -0.134391D+02 -0.105923D+02 -0.142100D+02  0.245639D+01  0.175245D+01
      5  -0.915971D+01  0.647867D+01 -0.996367D+01  0.716514D+01  0.317082D+01
      6   0.470203D+01  0.908880D+01  0.507800D+01 -0.392515D+01 -0.729848D+01
                16            17            18            19            20 
      1  -0.257332D+01 -0.151827D+02  0.147875D+02 -0.930000D+01 -0.935327D+01
      2   0.316068D+01  0.254234D+01 -0.140510D+01  0.293071D+01  0.643782D+01
      3  -0.587363D+00  0.126404D+02 -0.133824D+02  0.636929D+01  0.291545D+01
      4  -0.116433D+02  0.829258D+00 -0.990730D+00 -0.416547D+01  0.180540D+01
      5   0.670276D+01  0.256831D+01 -0.101188D+01  0.541067D+01  0.770139D+01
      6   0.764185D+01 -0.740587D+01  0.832715D+01  0.700444D+01  0.113927D+02
                21            22            23            24            25 
      1   0.573670D+01 -0.955703D+01  0.147725D+02  0.984307D+01  0.626636D+01
      2   0.937513D+01  0.544790D+01 -0.151319D+02 -0.115143D+02  0.849485D+01
      3  -0.151118D+02  0.410913D+01  0.359379D+00  0.167120D+01 -0.147612D+02
      4   0.116530D+02  0.270472D+01  0.348425D+01  0.514555D+01  0.124351D+02
      5  -0.644858D+01  0.782881D+01  0.443298D+01  0.838745D+01 -0.751977D+01
      6   0.485385D-01  0.103866D+02 -0.785871D+01 -0.168692D+01  0.123887D+00
                26            27            28            29            30 
      1   0.105053D+02 -0.547823D+01 -0.350016D+01  0.755064D+01  0.115088D+02
      2  -0.116658D+02  0.121963D+02  0.535174D+01 -0.976149D+01 -0.178552D+02
      3   0.116045D+01 -0.671803D+01 -0.185158D+01  0.221085D+01  0.634637D+01
      4   0.527580D+01  0.664682D+00  0.264186D+01 -0.578517D+00 -0.216277D+01
      5   0.726171D+01 -0.984692D+01  0.700794D+01  0.328314D+01 -0.109816D+02
      6  -0.909781D+00  0.859130D+00 -0.559827D+01 -0.140584D+02  0.479753D+01
                31            32            33            34            35 
      1   0.771167D+01  0.576814D+01  0.619974D+01  0.120551D+02  0.528385D+01
      2  -0.940162D+01 -0.245766D+01 -0.176915D+00 -0.176938D+02 -0.261822D+00
      3   0.168995D+01 -0.331048D+01 -0.602283D+01  0.563867D+01 -0.502202D+01
      4  -0.165643D+00 -0.112016D+02 -0.121172D+02 -0.157872D+01 -0.129471D+02
      5   0.478317D+01 -0.719226D+01  0.115762D+01 -0.111227D+02  0.223450D+01
      6  -0.130703D+02  0.250975D+01 -0.954664D+01  0.534968D+01 -0.100064D+02
                36            37            38            39            40 
      1  -0.225781D+01  0.306094D+01  0.185173D+01 -0.107928D+02  0.213449D+01
      2  -0.289732D+01  0.424502D+01  0.147534D+02  0.287890D+01  0.143002D+02
      3   0.515513D+01 -0.730596D+01 -0.166051D+02  0.791389D+01 -0.164346D+02
      4   0.856604D+01 -0.142635D+01 -0.808104D+01 -0.137228D+00 -0.861095D+01
      5   0.184959D+00 -0.223427D+01 -0.305779D+01 -0.105752D+02 -0.388575D+01
      6   0.309464D+01  0.174834D+01 -0.392735D+01 -0.142518D+02 -0.427598D+01
                41            42            43            44            45 
      1  -0.330053D+01 -0.236220D+01 -0.117264D+02 -0.187784D+01  0.242697D+00
      2  -0.773588D+01  0.435770D+01  0.414445D+01  0.385284D+01  0.349570D+01
      3   0.110364D+02 -0.199550D+01  0.758190D+01 -0.197500D+01 -0.373839D+01
      4   0.997524D+01  0.333246D+01 -0.472921D+00  0.495013D+01 -0.854103D+01
      5  -0.627713D+01 -0.130486D+02 -0.956605D+01 -0.123909D+02  0.852772D+01
      6   0.375396D+01  0.113454D+01 -0.134330D+02  0.922182D+00 -0.549094D+01
                46            47            48            49            50 
      1  -0.133404D+01  0.338671D+01 -0.592287D+01  0.300436D+01 -0.605126D+01
      2  -0.618255D+00 -0.105115D+01 -0.157364D+01 -0.839616D+00  0.238859D+01
      3   0.195229D+01 -0.233556D+01  0.749651D+01 -0.216475D+01  0.366267D+01
      4  -0.758801D+00  0.232879D+01 -0.241063D+00  0.386585D+01  0.234120D+01
      5   0.290163D+01 -0.792566D+00  0.315494D+01 -0.158427D+01 -0.284041D+01
      6  -0.191198D+01  0.297719D+01 -0.398422D+01  0.167952D+00 -0.899762D+01
                51            52            53            54            55 
      1   0.985765D+01 -0.450214D+01  0.953299D+01 -0.206650D+02  0.133349D+02
      2   0.417352D-02  0.126323D+01 -0.196952D+00 -0.106566D+02 -0.754800D+01
      3  -0.986182D+01  0.323890D+01 -0.933604D+01  0.313216D+02 -0.578689D+01
      4  -0.293947D+01 -0.615912D+00 -0.358519D+01  0.380472D+01 -0.807878D+01
      5   0.380552D+01  0.557935D+01  0.318280D+01 -0.956574D+01 -0.994512D+01
      6   0.121134D+02 -0.140506D+01  0.118712D+02 -0.159742D+02  0.487435D+01
                56            57            58            59            60 
      1  -0.606264D+01 -0.319426D+01 -0.906271D+01  0.320544D+01  0.147791D+01
      2   0.485352D+01  0.406488D+01  0.605938D+01  0.639575D+00 -0.399907D+01
      3   0.120912D+01 -0.870623D+00  0.300333D+01 -0.384501D+01  0.252116D+01
      4   0.109708D+02  0.423431D+01  0.124626D+02 -0.158179D+02 -0.524944D+01
      5   0.699489D+01  0.726035D+01  0.103215D+02 -0.794678D+01 -0.890468D+01
      6  -0.552496D+01 -0.351722D+01 -0.663403D+01  0.122046D+02  0.764756D+01
                61            62            63            64            65 
      1  -0.192854D+01  0.193623D+01 -0.132438D+01  0.229383D+02  0.951254D+01
      2   0.374875D+01 -0.300004D+01 -0.384439D+01 -0.637579D+01  0.930888D+00
      3  -0.182021D+01  0.106381D+01  0.516878D+01 -0.165625D+02 -0.104434D+02
      4   0.370193D+01 -0.368887D+01 -0.352297D+01  0.153773D+02  0.139468D+02
      5   0.705186D+01 -0.562670D+01 -0.693414D+01 -0.205296D+01 -0.536839D-01
      6  -0.392330D+01  0.674962D+01  0.304675D+01 -0.168186D+01 -0.302848D+01
                66            67            68            69            70 
      1   0.413283D+01  0.108600D+02  0.520994D+01  0.330830D+01  0.822442D+01
      2  -0.187147D-01  0.803454D+00  0.588209D+01  0.179310D+01 -0.205193D+01
      3  -0.411411D+01 -0.116634D+02 -0.110920D+02 -0.510141D+01 -0.617249D+01
      4   0.355258D+01  0.152913D+02  0.142481D+02  0.221677D+01  0.631804D+01
      5   0.476257D+01 -0.942427D+00 -0.117635D+01  0.365405D+01  0.361510D+01
      6   0.341564D+00 -0.275428D+01 -0.198080D+01  0.350817D+01  0.577620D+00
                71            72            73            74            75 
      1   0.338346D+01  0.125227D+01  0.753502D+01 -0.491040D+00  0.353119D+01
      2   0.219810D+01 -0.285908D+00 -0.824053D+01  0.174238D+01 -0.903739D+01
      3  -0.558157D+01 -0.966366D+00  0.705508D+00 -0.125134D+01  0.550621D+01
      4   0.543706D+01  0.364797D+01  0.156598D+01  0.304368D+01 -0.586408D+00
      5   0.265190D+01  0.438084D+01  0.100505D+02 -0.286752D+01  0.131685D+02
      6   0.231350D+01  0.110611D+01  0.344834D+00  0.207659D+00  0.224484D+01
                76            77            78            79            80 
      1  -0.258840D+01 -0.163030D+01 -0.504259D+00  0.385940D+01 -0.186571D+01
      2   0.352056D+01 -0.655844D+00  0.720769D+01 -0.103982D+02  0.608640D+01
      3  -0.932168D+00  0.228615D+01 -0.670343D+01  0.653885D+01 -0.422070D+01
      4   0.220754D+01 -0.354054D+01  0.281886D+01  0.393384D+00  0.379353D+01
      5  -0.578511D+01  0.318182D+01 -0.688179D+01  0.148259D+02 -0.331597D+01
      6   0.605073D+00 -0.239989D+01  0.351231D+01  0.236573D+01  0.495595D+01
                81            82            83            84            85 
      1  -0.322626D+01  0.264972D+02  0.601018D+01 -0.820029D+01  0.431637D+01
      2  -0.194714D+02 -0.817299D+01  0.130949D+01  0.588414D+00  0.176477D+01
      3   0.226977D+02 -0.183242D+02 -0.731967D+01  0.761188D+01 -0.608114D+01
      4   0.620684D-01  0.176449D+02  0.108289D+02 -0.606451D+01  0.951281D+01
      5   0.215825D+02 -0.401826D+01 -0.144544D+01  0.765832D+01 -0.121011D+01
      6   0.459066D+01 -0.396780D+01 -0.199187D+01  0.465617D+01 -0.253250D+01
                86            87            88            89            90 
      1   0.704823D+00 -0.206506D+01 -0.118215D+02 -0.211834D+01  0.498213D+01
      2   0.455338D+01 -0.116288D+00  0.252597D+01 -0.170277D+01 -0.324418D+01
      3  -0.525820D+01  0.218134D+01  0.929552D+01  0.382111D+01 -0.173795D+01
      4   0.665967D+01 -0.406451D+01 -0.945470D+01 -0.711083D+01  0.467636D+01
      5  -0.181303D+01  0.534525D+00  0.745294D+01  0.158395D+01 -0.671043D+01
      6  -0.236181D+00  0.329883D+01  0.449151D+01  0.321556D+01 -0.573636D+01
                91            92            93            94            95 
      1  -0.163378D+01  0.839143D+01  0.254792D+01  0.675104D+01 -0.226414D+02
      2   0.358168D+01 -0.104351D+02 -0.208997D+01 -0.617435D+01  0.331194D+02
      3  -0.194791D+01  0.204366D+01 -0.457955D+00 -0.576691D+00 -0.104780D+02
      4  -0.378938D+01  0.413295D+01  0.264787D+00  0.572071D+01  0.449214D+01
      5  -0.301230D+01  0.179452D+01  0.215443D+01  0.238795D+01 -0.284683D+00
      6   0.220129D+01 -0.633917D+01 -0.462912D+01 -0.325119D+01  0.180753D+02
                96            97            98            99           100 
      1  -0.822829D+01  0.125311D+01 -0.740052D+01 -0.487406D+01  0.466936D+01
      2   0.729602D+01 -0.189038D+01  0.618705D+01  0.191917D+01  0.284215D+00
      3   0.932265D+00  0.637275D+00  0.121347D+01  0.295489D+01 -0.495357D+01
      4   0.119752D+01  0.333426D-03  0.109923D+01  0.338305D+00 -0.895052D+01
      5   0.566842D+00  0.313709D+01 -0.241684D+00  0.161094D+01  0.344406D+01
      6   0.112437D+02 -0.184221D+01  0.104523D+02  0.688292D+01 -0.357734D+01
               101           102           103           104           105 
      1  -0.182745D+01  0.110439D+01 -0.105403D+01 -0.567511D+01  0.150395D+01
      2  -0.318220D+01  0.274575D+01 -0.364333D+01  0.138550D+02 -0.662740D+01
      3   0.500964D+01 -0.385014D+01  0.469736D+01 -0.817991D+01  0.512346D+01
      4   0.891158D+01 -0.550084D+01  0.805696D+01 -0.915669D+01  0.706654D+01
      5  -0.317994D+01  0.697612D+01 -0.258028D+01  0.420984D+01 -0.374248D+01
      6   0.464689D+01 -0.544349D+01  0.483768D+01 -0.780615D+01  0.101217D+02
               106           107           108           109           110 
      1   0.215051D+01  0.369486D+01 -0.261607D+01 -0.242204D+01 -0.889366D+01
      2   0.256056D+01 -0.103743D+02  0.303251D+01  0.413232D+01  0.132883D+02
      3  -0.471107D+01  0.667941D+01 -0.416435D+00 -0.171028D+01 -0.439463D+01
      4  -0.872759D+01  0.102547D+02 -0.798478D+01  0.895394D+01  0.753783D+01
      5   0.735617D+01 -0.503151D+01  0.941434D+01  0.294355D+01  0.184477D+01
      6  -0.630930D+01  0.117555D+02 -0.158034D+02  0.532032D+01  0.853771D+01
               111           112           113           114           115 
      1  -0.559616D+01 -0.660733D+01 -0.161525D+02 -0.805941D+01 -0.493134D+01
      2   0.425846D+01  0.833782D+01  0.244146D+02  0.781759D+01  0.401839D+01
      3   0.133770D+01 -0.173048D+01 -0.826210D+01  0.241812D+00  0.912948D+00
      4   0.396872D+01  0.736331D+01  0.496466D+01  0.307161D+01  0.418752D+01
      5   0.369597D+01  0.121994D+01  0.154100D+01 -0.229145D-01  0.429773D+01
      6   0.674997D+01  0.579798D+01  0.130477D+02  0.110929D+02  0.368175D+01
               116           117           118           119           120 
      1  -0.890411D+01 -0.712083D+01  0.189226D+02  0.389924D+00 -0.763973D+01
      2   0.864687D+01  0.406006D+01 -0.136922D+02 -0.259694D+01  0.100391D+02
      3   0.257237D+00  0.306078D+01 -0.523038D+01  0.220701D+01 -0.239939D+01
      4   0.277608D+01  0.141388D+01 -0.121249D+02  0.642026D+01  0.645554D+01
      5   0.460712D+00  0.119240D+01 -0.160859D+02  0.934576D+00  0.136737D+02
      6   0.122390D+02  0.999091D+01  0.686083D+01 -0.164562D+01 -0.701897D+01
               121           122           123           124           125 
      1   0.281319D+01  0.525343D+00 -0.129605D+01 -0.816212D+01 -0.183065D+01
      2  -0.313101D+01 -0.329130D+00  0.307726D+01  0.103280D+02  0.304904D+01
      3   0.317822D+00 -0.196213D+00 -0.178121D+01 -0.216590D+01 -0.121839D+01
      4   0.359874D+01  0.911770D+00 -0.125077D+01  0.743303D+01 -0.256858D+01
      5  -0.188005D+01 -0.185789D+01  0.156317D+01  0.139396D+02 -0.139662D+01
      6  -0.814007D+00 -0.538113D-01  0.299722D+01 -0.638374D+01  0.522658D+01
               126           127           128           129           130 
      1   0.195910D+01  0.498534D+01 -0.216310D+01 -0.211546D+00 -0.238165D+01
      2  -0.878789D+01  0.161293D+01 -0.738378D+01 -0.128998D+01 -0.746544D+01
      3   0.682879D+01 -0.659827D+01  0.954688D+01  0.150153D+01  0.984709D+01
      4  -0.617873D+01 -0.105070D+02  0.129588D+02 -0.470031D+00  0.133986D+02
      5  -0.132073D+02  0.484436D+01 -0.380933D+01  0.457414D+01 -0.486765D+01
      6   0.712173D+01 -0.415492D+01  0.646731D+01 -0.123008D+01  0.623002D+01
               131           132           133           134           135 
      1  -0.627734D+01  0.271517D+01 -0.112665D+01  0.498469D+00 -0.706041D+00
      2   0.236399D+02  0.128656D+01 -0.100915D+01  0.399138D+01  0.132642D+01
      3  -0.173625D+02 -0.400173D+01  0.213580D+01 -0.448985D+01 -0.620378D+00
      4  -0.182565D+02  0.565610D+00  0.227151D+01 -0.249170D+01 -0.162530D+01
      5   0.588392D+01 -0.212079D+01  0.263692D+01 -0.989865D+00 -0.115658D+01
      6  -0.135947D+02  0.629162D+01 -0.545556D+00  0.340924D+01  0.912172D+00
               136           137           138           139           140 
      1  -0.226983D+01 -0.367083D+01  0.930676D+01 -0.263748D+01 -0.362768D+01
      2  -0.427579D+01  0.429664D+00  0.548993D+01 -0.394722D+00  0.245898D+01
      3   0.654562D+01  0.324116D+01 -0.147967D+02  0.303220D+01  0.116869D+01
      4   0.641012D+01  0.449215D+01 -0.410768D+01  0.455678D+01  0.739830D+00
      5  -0.126500D+02 -0.295203D+01  0.113730D+02 -0.202225D+01 -0.193122D+01
      6  -0.521296D+01 -0.676050D+01  0.917155D+01 -0.372731D+01 -0.615164D+01
               141           142           143           144           145 
      1   0.487110D+01  0.738291D+01  0.521909D+01 -0.142924D+02  0.100122D+02
      2  -0.122903D+01  0.270309D+01 -0.523346D+00 -0.971986D+01 -0.123830D+02
      3  -0.364207D+01 -0.100860D+02 -0.469575D+01  0.240123D+02  0.237084D+01
      4  -0.234145D+01 -0.357181D+01 -0.186525D+01  0.394447D+01  0.204089D+01
      5   0.296248D+01  0.104124D+02  0.325946D+01 -0.869656D+01  0.164781D+02
      6   0.815941D+01  0.622940D+01  0.808735D+01 -0.113951D+02  0.310389D+01
               146           147           148           149           150 
      1   0.319253D+01  0.302456D+01  0.435882D+01  0.700674D+00 -0.136294D+01
      2  -0.624992D+01 -0.984056D+01 -0.718149D+01 -0.146177D+01 -0.672516D+01
      3   0.305740D+01  0.681601D+01  0.282267D+01  0.761092D+00  0.808810D+01
      4   0.529826D+01  0.696627D+00  0.482473D+01  0.407732D+01  0.224235D+01
      5   0.573506D+01  0.145873D+02  0.914721D+01  0.635397D+01  0.915201D+01
      6   0.579349D+01  0.321729D+01  0.540529D+01  0.768351D+01  0.577931D+01
               151           152           153 
      1   0.248296D+01  0.711190D-01 -0.290645D+01
      2  -0.845716D+01 -0.458241D+01 -0.111201D+02
      3   0.597420D+01  0.451129D+01  0.140266D+02
      4   0.269742D+00  0.129273D+01  0.197500D+01
      5   0.127208D+02  0.602128D+01  0.118752D+02
      6   0.362597D+01  0.549897D+01  0.326380D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264102D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.679360D+02      0.100671D+02      0.112011D+02
   aniso      0.100902D-02      0.149521D-03      0.166365D-03
   xx         0.679363D+02      0.100671D+02      0.112012D+02
   yx         0.106337D-03      0.157576D-04      0.175326D-04
   yy         0.679356D+02      0.100670D+02      0.112011D+02
   zx         0.340185D-03      0.504102D-04      0.560889D-04
   zy        -0.298370D-03     -0.442138D-04     -0.491945D-04
   zz         0.679361D+02      0.100671D+02      0.112012D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199269         -1.77261310          2.27711124
     6         -2.54545344          1.37771080          0.13617670
     6          0.13192761         -1.54554813         -2.44740821
     6          2.15152900          1.94045132          0.03412953
     1         -1.25041321         -3.17768910          2.29985279
     1          0.17452148         -0.71848910          4.05005427
     1          2.06294524         -2.78069275          2.22733012
     1         -4.11526103          0.03703403          0.11598679
     1         -2.78261766          2.65548456         -1.46793617
     1         -2.69011411          2.49703037          1.86485581
     1         -1.38323256         -2.94587508         -2.52154326
     1          1.93017178         -2.54907297         -2.59353807
     1         -0.04999629         -0.32654091         -4.10361464
     1          2.10266954          3.07012063          1.76144202
     1          2.01060400          3.23088350         -1.57120850
     1          3.99110565          1.00827626         -0.06164626

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.679360D+02      0.100671D+02      0.112011D+02
   aniso      0.100902D-02      0.149521D-03      0.166365D-03
   xx         0.679364D+02      0.100671D+02      0.112012D+02
   yx         0.201931D-03      0.299231D-04      0.332939D-04
   yy         0.679359D+02      0.100671D+02      0.112011D+02
   zx         0.310517D-03      0.460138D-04      0.511973D-04
   zy        -0.209689D-03     -0.310728D-04     -0.345731D-04
   zz         0.679356D+02      0.100670D+02      0.112011D+02

 ----------------------------------------------------------------------
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 IF AT FIRST YOU DON'T SUCCEED, TRY LOOKING IN 
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 Job cpu time:       0 days  1 hours  4 minutes 30.2 seconds.
 Elapsed time:       0 days  0 hours  8 minutes  4.4 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:56:20 2022.
